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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:51 UTC
Update Date2022-03-07 02:51:54 UTC
HMDB IDHMDB0015244
Secondary Accession Numbers
  • HMDB15244
Metabolite Identification
Common NameCefuroxime
DescriptionCefuroxime is only found in individuals that have used or taken this drug. It is a broad-spectrum cephalosporin antibiotic resistant to beta-lactamase. It has been proposed for infections with gram-negative and gram-positive organisms, gonorrhea, and haemophilus. [PubChem]Cefuroxime, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that cefuroxime interferes with an autolysin inhibitor.
Structure
Data?1582753274
Synonyms
ValueSource
(6R,7R)-3-[(Carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidChEBI
CefuroximChEBI
CefuroximoChEBI
CefuroximumChEBI
CephuroximeChEBI
SharoxChEBI
Zinacef danmarkChEBI
CXMKegg
(6R,7R)-3-[(Carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateGenerator
KetocefHMDB
ZinacefHMDB
Chemical FormulaC16H16N4O8S
Average Molecular Weight424.385
Monoisotopic Molecular Weight424.068884198
IUPAC Name(6R,7R)-3-[(carbamoyloxy)methyl]-7-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Traditional Namesharox
CAS Registry Number55268-75-2
SMILES
[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O
InChI Identifier
InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
InChI KeyJFPVXVDWJQMJEE-IZRZKJBUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cephalosporin 3'-carbamates. These are cephalosporins that are substituted at the 3'-position by a carbamate group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactams
Sub ClassBeta lactams
Direct ParentCephalosporin 3'-carbamates
Alternative Parents
Substituents
  • Cephalosporin 3'-carbamate
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Meta-thiazine
  • Furan
  • Heteroaromatic compound
  • Carbamic acid ester
  • Tertiary carboxylic acid amide
  • Azetidine
  • Carboxamide group
  • Carbonic acid derivative
  • Secondary carboxylic acid amide
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Azacycle
  • Dialkylthioether
  • Hemithioaminal
  • Thioether
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Carbonyl group
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxide
  • Organic nitrogen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point218 - 225 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.28 g/LNot Available
LogP-0.8Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.28 g/LALOGPS
logP-0.24ALOGPS
logP-0.9ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)3.15ChemAxon
pKa (Strongest Basic)-1.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area173.76 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity97.17 m³·mol⁻¹ChemAxon
Polarizability38.75 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+195.95831661259
DarkChem[M-H]-185.41531661259
DeepCCS[M-2H]-242.05530932474
DeepCCS[M+Na]+217.40730932474
AllCCS[M+H]+190.932859911
AllCCS[M+H-H2O]+188.632859911
AllCCS[M+NH4]+193.132859911
AllCCS[M+Na]+193.732859911
AllCCS[M-H]-188.832859911
AllCCS[M+Na-2H]-188.932859911
AllCCS[M+HCOO]-189.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cefuroxime[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O4570.7Standard polar33892256
Cefuroxime[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O3045.4Standard non polar33892256
Cefuroxime[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CC=CO1)C(O)=O3492.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cefuroxime,1TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(N)=O)CS[C@H]12)C1=CC=CO13429.0Semi standard non polar33892256
Cefuroxime,1TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N[Si](C)(C)C)CS[C@H]12)C1=CC=CO13489.4Semi standard non polar33892256
Cefuroxime,1TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)[Si](C)(C)C)C1=CC=CO13351.2Semi standard non polar33892256
Cefuroxime,2TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N[Si](C)(C)C)CS[C@H]12)C1=CC=CO13419.2Semi standard non polar33892256
Cefuroxime,2TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N[Si](C)(C)C)CS[C@H]12)C1=CC=CO12974.2Standard non polar33892256
Cefuroxime,2TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N[Si](C)(C)C)CS[C@H]12)C1=CC=CO16381.7Standard polar33892256
Cefuroxime,2TMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(N)=O)CS[C@H]12)[Si](C)(C)C)C1=CC=CO13284.6Semi standard non polar33892256
Cefuroxime,2TMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(N)=O)CS[C@H]12)[Si](C)(C)C)C1=CC=CO12886.4Standard non polar33892256
Cefuroxime,2TMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(N)=O)CS[C@H]12)[Si](C)(C)C)C1=CC=CO16155.2Standard polar33892256
Cefuroxime,2TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO13363.3Semi standard non polar33892256
Cefuroxime,2TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO13020.6Standard non polar33892256
Cefuroxime,2TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO15646.4Standard polar33892256
Cefuroxime,2TMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)C1=CC=CO13397.8Semi standard non polar33892256
Cefuroxime,2TMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)C1=CC=CO13050.7Standard non polar33892256
Cefuroxime,2TMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)C1=CC=CO16156.9Standard polar33892256
Cefuroxime,3TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO13305.5Semi standard non polar33892256
Cefuroxime,3TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO13020.1Standard non polar33892256
Cefuroxime,3TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO15191.8Standard polar33892256
Cefuroxime,3TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)C1=CC=CO13354.2Semi standard non polar33892256
Cefuroxime,3TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)C1=CC=CO13045.4Standard non polar33892256
Cefuroxime,3TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)C1=CC=CO15825.2Standard polar33892256
Cefuroxime,3TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO13298.8Semi standard non polar33892256
Cefuroxime,3TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO13098.0Standard non polar33892256
Cefuroxime,3TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO15102.6Standard polar33892256
Cefuroxime,4TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO13279.6Semi standard non polar33892256
Cefuroxime,4TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO13112.9Standard non polar33892256
Cefuroxime,4TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(COC(=O)N([Si](C)(C)C)[Si](C)(C)C)CS[C@H]12)[Si](C)(C)C)C1=CC=CO14772.6Standard polar33892256
Cefuroxime,1TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)C1=CC=CO13635.1Semi standard non polar33892256
Cefuroxime,1TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CO13698.3Semi standard non polar33892256
Cefuroxime,1TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO13563.8Semi standard non polar33892256
Cefuroxime,2TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CO13794.2Semi standard non polar33892256
Cefuroxime,2TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CO13295.3Standard non polar33892256
Cefuroxime,2TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CO15999.2Standard polar33892256
Cefuroxime,2TBDMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO13681.0Semi standard non polar33892256
Cefuroxime,2TBDMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO13247.6Standard non polar33892256
Cefuroxime,2TBDMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO15896.5Standard polar33892256
Cefuroxime,2TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO13753.6Semi standard non polar33892256
Cefuroxime,2TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO13351.7Standard non polar33892256
Cefuroxime,2TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO15334.7Standard polar33892256
Cefuroxime,2TBDMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CO13805.6Semi standard non polar33892256
Cefuroxime,2TBDMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CO13370.5Standard non polar33892256
Cefuroxime,2TBDMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CO15820.4Standard polar33892256
Cefuroxime,3TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO13846.1Semi standard non polar33892256
Cefuroxime,3TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO13522.1Standard non polar33892256
Cefuroxime,3TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO15046.5Standard polar33892256
Cefuroxime,3TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CO13914.9Semi standard non polar33892256
Cefuroxime,3TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CO13533.4Standard non polar33892256
Cefuroxime,3TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)C1=CC=CO15524.8Standard polar33892256
Cefuroxime,3TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO13888.8Semi standard non polar33892256
Cefuroxime,3TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO13594.5Standard non polar33892256
Cefuroxime,3TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO14950.6Standard polar33892256
Cefuroxime,4TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO14014.7Semi standard non polar33892256
Cefuroxime,4TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO13765.9Standard non polar33892256
Cefuroxime,4TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(COC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CO14754.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cefuroxime GC-MS (Non-derivatized) - 70eV, Positivesplash10-00dl-3926000000-2148cf05d31b3658ebcf2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefuroxime GC-MS (1 TMS) - 70eV, Positivesplash10-00dl-9320300000-45c45b3354d001c254532017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefuroxime GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 10V, Positive-QTOFsplash10-0ar0-2192200000-206265fb15a436edf6ac2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 20V, Positive-QTOFsplash10-0avi-4293000000-c8a2cea122e40dacb6e82017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 40V, Positive-QTOFsplash10-0aou-9561000000-9cb40ec2c90933d73f882017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 10V, Negative-QTOFsplash10-052f-9262100000-c572c9da887b9e4fe33c2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 20V, Negative-QTOFsplash10-0006-9210000000-469bbe70e6e9b2ae098d2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 40V, Negative-QTOFsplash10-0006-9100000000-6a9d50ea1c4e799bc8652017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 10V, Positive-QTOFsplash10-0536-0139200000-e2d9733f4bb4e1786a302021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 20V, Positive-QTOFsplash10-0udi-0349000000-df558dc9952f1ab93b692021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 40V, Positive-QTOFsplash10-0ue9-3569000000-89769e695c5eceed56eb2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 10V, Negative-QTOFsplash10-00di-0017900000-f168a7338d5d6afa95592021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 20V, Negative-QTOFsplash10-006w-3349000000-7ac4d154b711d19b7a4a2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefuroxime 40V, Negative-QTOFsplash10-0006-9000000000-cb5b232c6e8ca7c440e72021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01112 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01112 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01112
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4586393
KEGG Compound IDC06894
BioCyc IDCPD0-2069
BiGG IDNot Available
Wikipedia LinkCefuroxime
METLIN IDNot Available
PubChem Compound5479529
PDB IDKOV
ChEBI ID3515
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. Perry CM, Brogden RN: Cefuroxime axetil. A review of its antibacterial activity, pharmacokinetic properties and therapeutic efficacy. Drugs. 1996 Jul;52(1):125-58. [PubMed:8799689 ]

Transporters

General function:
Involved in transporter activity
Specific function:
Proton-coupled intake of oligopeptides of 2 to 4 amino acids with a preference for dipeptides. May constitute a major route for the absorption of protein digestion end-products
Gene Name:
SLC15A1
Uniprot ID:
P46059
Molecular weight:
78805.3
References
  1. Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24. [PubMed:15567297 ]
General function:
Involved in transporter activity
Specific function:
Proton-coupled intake of oligopeptides of 2 to 4 amino acids with a preference for dipeptides
Gene Name:
SLC15A2
Uniprot ID:
Q16348
Molecular weight:
81782.8
References
  1. Luckner P, Brandsch M: Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1. Eur J Pharm Biopharm. 2005 Jan;59(1):17-24. [PubMed:15567297 ]