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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-13 11:43:53 UTC
Update Date2022-03-07 02:57:12 UTC
HMDB IDHMDB0041850
Secondary Accession Numbers
  • HMDB41850
Metabolite Identification
Common NameCefodizime
DescriptionCefodizime, also known as CDZM or cefodizime sodium, belongs to the class of organic compounds known as cephalosporins. Cephalosporins are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof. Based on a literature review a significant number of articles have been published on Cefodizime.
Structure
Data?1563863708
Synonyms
ValueSource
(6R,7R)-7-{[(22Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidChEBI
CDZMChEBI
CefodizimaChEBI
CefodizimumChEBI
(6R,7R)-7-{[(22Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateGenerator
(6R,7R)-7-{[(22Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulphanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateGenerator
(6R,7R)-7-{[(22Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulphanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidGenerator
Cefodizime sodiumHMDB
ModividHMDB
Cefodizime, dipotassium salt, (6R-(6alpha,7beta(Z)))-isomerHMDB
Cefodizime disodiumHMDB
Cefodizime, disodium salt, (6R-(6alpha,7beta(Z)))-isomerHMDB
Chemical FormulaC20H20N6O7S4
Average Molecular Weight584.669
Monoisotopic Molecular Weight584.027629784
IUPAC Name(6R,7R)-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-7-{[(2Z)-1-hydroxy-2-(2-imino-2,3-dihydro-1,3-thiazol-4-yl)-2-(methoxyimino)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Traditional Namemodivid
CAS Registry Number69739-16-8
SMILES
[H][C@]12SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C(O)=O
InChI Identifier
InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
InChI KeyXDZKBRJLTGRPSS-BGZQYGJUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cephalosporins. Cephalosporins are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]Oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactams
Sub ClassBeta lactams
Direct ParentCephalosporins
Alternative Parents
Substituents
  • Cephalosporin
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Aryl thioether
  • 2,4,5-trisubstituted 1,3-thiazole
  • 2,4-disubstituted 1,3-thiazole
  • Alkylarylthioether
  • Meta-thiazine
  • Dicarboxylic acid or derivatives
  • 1,3-thiazol-2-amine
  • Heteroaromatic compound
  • Azole
  • Tertiary carboxylic acid amide
  • Thiazole
  • Amino acid
  • Amino acid or derivatives
  • Carboxamide group
  • Azetidine
  • Secondary carboxylic acid amide
  • Dialkylthioether
  • Carboxylic acid
  • Azacycle
  • Carboxylic acid derivative
  • Sulfenyl compound
  • Hemithioaminal
  • Thioether
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organosulfur compound
  • Primary amine
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.093 g/LALOGPS
logP1.25ALOGPS
logP-0.018ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.22ChemAxon
pKa (Strongest Basic)6.84ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area197.86 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity150.24 m³·mol⁻¹ChemAxon
Polarizability56.97 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+229.131661259
DarkChem[M-H]-215.14331661259
DeepCCS[M-2H]-252.60630932474
DeepCCS[M+Na]+226.84330932474
AllCCS[M+H]+216.632859911
AllCCS[M+H-H2O]+215.732859911
AllCCS[M+NH4]+217.532859911
AllCCS[M+Na]+217.732859911
AllCCS[M-H]-201.932859911
AllCCS[M+Na-2H]-203.132859911
AllCCS[M+HCOO]-204.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cefodizime[H][C@]12SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C(O)=O6327.3Standard polar33892256
Cefodizime[H][C@]12SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C(O)=O4287.6Standard non polar33892256
Cefodizime[H][C@]12SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N1C(=O)[C@@]2([H])N=C(O)C(=N/OC)\C1=CSC(=N)N1)C(O)=O5102.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cefodizime,1TMS,isomer #1CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)C1=CSC(=N)[NH]14753.3Semi standard non polar33892256
Cefodizime,1TMS,isomer #2CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N)[NH]14782.0Semi standard non polar33892256
Cefodizime,1TMS,isomer #3CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N)[NH]14747.2Semi standard non polar33892256
Cefodizime,1TMS,isomer #4CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C)[NH]14803.8Semi standard non polar33892256
Cefodizime,1TMS,isomer #5CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N)N1[Si](C)(C)C4828.9Semi standard non polar33892256
Cefodizime,2TMS,isomer #1CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N)[NH]14654.9Semi standard non polar33892256
Cefodizime,2TMS,isomer #10CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C)N1[Si](C)(C)C4700.1Semi standard non polar33892256
Cefodizime,2TMS,isomer #2CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)C1=CSC(=N)[NH]14657.5Semi standard non polar33892256
Cefodizime,2TMS,isomer #3CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C)[NH]14661.1Semi standard non polar33892256
Cefodizime,2TMS,isomer #4CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)C1=CSC(=N)N1[Si](C)(C)C4675.8Semi standard non polar33892256
Cefodizime,2TMS,isomer #5CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N)[NH]14638.2Semi standard non polar33892256
Cefodizime,2TMS,isomer #6CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N[Si](C)(C)C)[NH]14642.1Semi standard non polar33892256
Cefodizime,2TMS,isomer #7CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N)N1[Si](C)(C)C4691.2Semi standard non polar33892256
Cefodizime,2TMS,isomer #8CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C)[NH]14648.5Semi standard non polar33892256
Cefodizime,2TMS,isomer #9CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N)N1[Si](C)(C)C4673.1Semi standard non polar33892256
Cefodizime,3TMS,isomer #1CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N)[NH]14597.1Semi standard non polar33892256
Cefodizime,3TMS,isomer #10CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C)N1[Si](C)(C)C4623.1Semi standard non polar33892256
Cefodizime,3TMS,isomer #2CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N[Si](C)(C)C)[NH]14572.8Semi standard non polar33892256
Cefodizime,3TMS,isomer #3CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N)N1[Si](C)(C)C4624.6Semi standard non polar33892256
Cefodizime,3TMS,isomer #4CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C)[NH]14581.9Semi standard non polar33892256
Cefodizime,3TMS,isomer #5CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)C1=CSC(=N)N1[Si](C)(C)C4632.8Semi standard non polar33892256
Cefodizime,3TMS,isomer #6CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C)N1[Si](C)(C)C4626.1Semi standard non polar33892256
Cefodizime,3TMS,isomer #7CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N[Si](C)(C)C)[NH]14569.7Semi standard non polar33892256
Cefodizime,3TMS,isomer #8CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N)N1[Si](C)(C)C4618.3Semi standard non polar33892256
Cefodizime,3TMS,isomer #9CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N[Si](C)(C)C)N1[Si](C)(C)C4622.9Semi standard non polar33892256
Cefodizime,4TMS,isomer #1CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N[Si](C)(C)C)[NH]14541.4Semi standard non polar33892256
Cefodizime,4TMS,isomer #1CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N[Si](C)(C)C)[NH]13946.2Standard non polar33892256
Cefodizime,4TMS,isomer #2CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N)N1[Si](C)(C)C4615.0Semi standard non polar33892256
Cefodizime,4TMS,isomer #2CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N)N1[Si](C)(C)C3963.9Standard non polar33892256
Cefodizime,4TMS,isomer #3CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N[Si](C)(C)C)N1[Si](C)(C)C4583.3Semi standard non polar33892256
Cefodizime,4TMS,isomer #3CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N[Si](C)(C)C)N1[Si](C)(C)C3978.4Standard non polar33892256
Cefodizime,4TMS,isomer #4CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C)N1[Si](C)(C)C4595.9Semi standard non polar33892256
Cefodizime,4TMS,isomer #4CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C)N1[Si](C)(C)C3990.5Standard non polar33892256
Cefodizime,4TMS,isomer #5CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N[Si](C)(C)C)N1[Si](C)(C)C4594.0Semi standard non polar33892256
Cefodizime,4TMS,isomer #5CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C)C1=CSC(=N[Si](C)(C)C)N1[Si](C)(C)C3893.2Standard non polar33892256
Cefodizime,1TBDMS,isomer #1CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C(C)(C)C)S3)CS[C@H]12)C1=CSC(=N)[NH]14928.0Semi standard non polar33892256
Cefodizime,1TBDMS,isomer #2CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C(C)(C)C)C1=CSC(=N)[NH]14920.5Semi standard non polar33892256
Cefodizime,1TBDMS,isomer #3CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N)[NH]14932.7Semi standard non polar33892256
Cefodizime,1TBDMS,isomer #4CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C(C)(C)C)[NH]14922.1Semi standard non polar33892256
Cefodizime,1TBDMS,isomer #5CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N)N1[Si](C)(C)C(C)(C)C4934.7Semi standard non polar33892256
Cefodizime,2TBDMS,isomer #1CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C(C)(C)C)S3)CS[C@H]12)O[Si](C)(C)C(C)(C)C)C1=CSC(=N)[NH]14965.8Semi standard non polar33892256
Cefodizime,2TBDMS,isomer #10CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4959.5Semi standard non polar33892256
Cefodizime,2TBDMS,isomer #2CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C(C)(C)C)S3)CS[C@H]12)C1=CSC(=N)[NH]14994.9Semi standard non polar33892256
Cefodizime,2TBDMS,isomer #3CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C(C)(C)C)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C(C)(C)C)[NH]14954.8Semi standard non polar33892256
Cefodizime,2TBDMS,isomer #4CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O[Si](C)(C)C(C)(C)C)S3)CS[C@H]12)C1=CSC(=N)N1[Si](C)(C)C(C)(C)C4969.6Semi standard non polar33892256
Cefodizime,2TBDMS,isomer #5CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C(C)(C)C)C1=CSC(=N)[NH]14959.9Semi standard non polar33892256
Cefodizime,2TBDMS,isomer #6CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C(C)(C)C)C1=CSC(=N[Si](C)(C)C(C)(C)C)[NH]14916.5Semi standard non polar33892256
Cefodizime,2TBDMS,isomer #7CO/N=C(\C(=N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)O[Si](C)(C)C(C)(C)C)C1=CSC(=N)N1[Si](C)(C)C(C)(C)C4952.6Semi standard non polar33892256
Cefodizime,2TBDMS,isomer #8CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N[Si](C)(C)C(C)(C)C)[NH]14943.0Semi standard non polar33892256
Cefodizime,2TBDMS,isomer #9CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NC(C)=C(CC(=O)O)S3)CS[C@H]12)C1=CSC(=N)N1[Si](C)(C)C(C)(C)C4976.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (Non-derivatized) - 70eV, Positivesplash10-000l-1536090000-7046ae7adc681ed12da12017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (1 TMS) - 70eV, Positivesplash10-05to-6458039000-6dbf9025754d558ecdc82017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS ("Cefodizime,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefodizime GC-MS (TMS_3_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 10V, Positive-QTOFsplash10-000g-3288790000-542418c8a59009a0cf982017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 20V, Positive-QTOFsplash10-0002-9578220000-e164945ce0ce5ca873d42017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 40V, Positive-QTOFsplash10-0002-9222000000-ff116e19e0a39b5ed7542017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 10V, Negative-QTOFsplash10-000i-0691030000-ffa380df1cdb8c733f7d2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 20V, Negative-QTOFsplash10-0udr-0920000000-1d2f3f318854eb346f7d2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 40V, Negative-QTOFsplash10-0zfu-9800000000-33c60289a3a4d20179bf2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 10V, Positive-QTOFsplash10-00kr-0000090000-e1ef6a067643a41decaa2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 20V, Positive-QTOFsplash10-000m-0354390000-7999fb91fd795b9f7e4d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 40V, Positive-QTOFsplash10-06vr-0902120000-50eccf71754852cdb65c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 10V, Negative-QTOFsplash10-0002-0010090000-dd19ba7c61c7fbcce4922021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 20V, Negative-QTOFsplash10-002f-1900000000-f608a676ac7659fb33812021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefodizime 40V, Negative-QTOFsplash10-0aba-7900000000-5c1d30269f11ccc154582021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB13470
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4514859
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCefodizime
METLIN IDNot Available
PubChem Compound5361871
PDB IDNot Available
ChEBI ID63214
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Montannez MI, Mayorga C, Torres MJ, Ariza A, Blanca M, Perez-Inestrosa E: Synthetic approach to gain insight into antigenic determinants of cephalosporins: in vitro studies of chemical structure-IgE molecular recognition relationships. Chem Res Toxicol. 2011 May 16;24(5):706-17. doi: 10.1021/tx100446g. Epub 2011 Mar 31. [PubMed:21425867 ]
  2. Komada Y, Arai S, Kamiya H, Sakurai M, Shimizu S, Nishi H, Inoue M, Kojima M, Kawaguchi H, Yoshizumi T: [Laboratory and clinical investigations of cefodizime in infectious diseases in childhood]. Jpn J Antibiot. 1989 Jun;42(6):1346-57. [PubMed:2795858 ]