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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:52 UTC
Update Date2022-03-07 02:52:00 UTC
HMDB IDHMDB0015486
Secondary Accession Numbers
  • HMDB15486
Metabolite Identification
Common NameCefpodoxime
DescriptionCefpodoxime, also known as epoxim or CPDX, belongs to the class of organic compounds known as phenylpiperazines. Phenylpiperazines are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. Based on a literature review a significant number of articles have been published on Cefpodoxime.
Structure
Data?1582753302
Synonyms
ValueSource
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidChEBI
CefpodoximaChEBI
CefpodoximumChEBI
EpoximKegg
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateGenerator
CPDXHMDB
Cefpodoxime proxetilHMDB
CPDX-PRHMDB
RU 51807HMDB
Chemical FormulaC15H17N5O6S2
Average Molecular Weight427.455
Monoisotopic Molecular Weight427.062024681
IUPAC Name(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Traditional Namecefpodoxime
CAS Registry Number82619-04-3
SMILES
[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
InChI Identifier
InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1
InChI KeyWYUSVOMTXWRGEK-HBWVYFAYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpiperazines. Phenylpiperazines are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazinanes
Sub ClassPiperazines
Direct ParentPhenylpiperazines
Alternative Parents
Substituents
  • Phenylpiperazine
  • N-arylpiperazine
  • Aminoquinoline
  • 4-aminoquinoline
  • Aminobenzoic acid or derivatives
  • Trifluoromethylbenzene
  • Benzoate ester
  • Quinoline
  • Benzoic acid or derivatives
  • Benzoyl
  • Tertiary aliphatic/aromatic amine
  • Dialkylarylamine
  • Aniline or substituted anilines
  • N-alkylpiperazine
  • Aminopyridine
  • Benzenoid
  • Pyridine
  • Monocyclic benzene moiety
  • Vinylogous amide
  • Heteroaromatic compound
  • Amino acid or derivatives
  • Tertiary aliphatic amine
  • Tertiary amine
  • Carboxylic acid ester
  • Azacycle
  • Secondary amine
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Alkyl halide
  • Alkyl fluoride
  • Organic oxide
  • Organopnictogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organonitrogen compound
  • Amine
  • Organohalogen compound
  • Organofluoride
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.18 g/LNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.18 g/LALOGPS
logP0.05ALOGPS
logP-1.2ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)3.22ChemAxon
pKa (Strongest Basic)4.16ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area156.44 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity100.71 m³·mol⁻¹ChemAxon
Polarizability39.9 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]+195.87331661259
DarkChem[M-H]-191.80231661259
DeepCCS[M-2H]-227.44130932474
DeepCCS[M+Na]+202.66830932474
AllCCS[M+H]+191.032859911
AllCCS[M+H-H2O]+188.932859911
AllCCS[M+NH4]+193.032859911
AllCCS[M+Na]+193.632859911
AllCCS[M-H]-186.532859911
AllCCS[M+Na-2H]-186.732859911
AllCCS[M+HCOO]-187.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cefpodoxime[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O4610.9Standard polar33892256
Cefpodoxime[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O3231.3Standard non polar33892256
Cefpodoxime[H][C@]12SCC(COC)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O3690.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cefpodoxime,1TMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N)=N3)[C@H]2SC13514.8Semi standard non polar33892256
Cefpodoxime,1TMS,isomer #2COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C)=N3)[C@H]2SC13606.1Semi standard non polar33892256
Cefpodoxime,1TMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N)=N3)[Si](C)(C)C)[C@H]2SC13428.6Semi standard non polar33892256
Cefpodoxime,2TMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C)=N3)[C@H]2SC13504.0Semi standard non polar33892256
Cefpodoxime,2TMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C)=N3)[C@H]2SC13052.7Standard non polar33892256
Cefpodoxime,2TMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C)=N3)[C@H]2SC16452.4Standard polar33892256
Cefpodoxime,2TMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N)=N3)[Si](C)(C)C)[C@H]2SC13340.0Semi standard non polar33892256
Cefpodoxime,2TMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N)=N3)[Si](C)(C)C)[C@H]2SC13079.3Standard non polar33892256
Cefpodoxime,2TMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N)=N3)[Si](C)(C)C)[C@H]2SC15912.7Standard polar33892256
Cefpodoxime,2TMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC13425.1Semi standard non polar33892256
Cefpodoxime,2TMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC13086.0Standard non polar33892256
Cefpodoxime,2TMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC15863.5Standard polar33892256
Cefpodoxime,2TMS,isomer #4COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[C@H]2SC13497.5Semi standard non polar33892256
Cefpodoxime,2TMS,isomer #4COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[C@H]2SC13174.6Standard non polar33892256
Cefpodoxime,2TMS,isomer #4COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[C@H]2SC16162.3Standard polar33892256
Cefpodoxime,3TMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC13367.6Semi standard non polar33892256
Cefpodoxime,3TMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC13106.9Standard non polar33892256
Cefpodoxime,3TMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC15456.0Standard polar33892256
Cefpodoxime,3TMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[C@H]2SC13433.0Semi standard non polar33892256
Cefpodoxime,3TMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[C@H]2SC13171.0Standard non polar33892256
Cefpodoxime,3TMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[C@H]2SC15893.7Standard polar33892256
Cefpodoxime,3TMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC13378.6Semi standard non polar33892256
Cefpodoxime,3TMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC13222.5Standard non polar33892256
Cefpodoxime,3TMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC15237.9Standard polar33892256
Cefpodoxime,4TMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC13354.1Semi standard non polar33892256
Cefpodoxime,4TMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC13237.0Standard non polar33892256
Cefpodoxime,4TMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N3)[Si](C)(C)C)[C@H]2SC14935.0Standard polar33892256
Cefpodoxime,1TBDMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N)=N3)[C@H]2SC13686.2Semi standard non polar33892256
Cefpodoxime,1TBDMS,isomer #2COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C(C)(C)C)=N3)[C@H]2SC13767.9Semi standard non polar33892256
Cefpodoxime,1TBDMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC13620.3Semi standard non polar33892256
Cefpodoxime,2TBDMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C(C)(C)C)=N3)[C@H]2SC13815.0Semi standard non polar33892256
Cefpodoxime,2TBDMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C(C)(C)C)=N3)[C@H]2SC13462.5Standard non polar33892256
Cefpodoxime,2TBDMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C(C)(C)C)=N3)[C@H]2SC16119.3Standard polar33892256
Cefpodoxime,2TBDMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC13671.2Semi standard non polar33892256
Cefpodoxime,2TBDMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC13477.3Standard non polar33892256
Cefpodoxime,2TBDMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC15756.5Standard polar33892256
Cefpodoxime,2TBDMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC13737.9Semi standard non polar33892256
Cefpodoxime,2TBDMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC13508.5Standard non polar33892256
Cefpodoxime,2TBDMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC15555.0Standard polar33892256
Cefpodoxime,2TBDMS,isomer #4COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[C@H]2SC13827.2Semi standard non polar33892256
Cefpodoxime,2TBDMS,isomer #4COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[C@H]2SC13568.7Standard non polar33892256
Cefpodoxime,2TBDMS,isomer #4COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[C@H]2SC15876.7Standard polar33892256
Cefpodoxime,3TBDMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC13843.0Semi standard non polar33892256
Cefpodoxime,3TBDMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC13703.8Standard non polar33892256
Cefpodoxime,3TBDMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC15275.9Standard polar33892256
Cefpodoxime,3TBDMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[C@H]2SC13925.4Semi standard non polar33892256
Cefpodoxime,3TBDMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[C@H]2SC13750.9Standard non polar33892256
Cefpodoxime,3TBDMS,isomer #2COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[C@H]2SC15637.6Standard polar33892256
Cefpodoxime,3TBDMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC13868.1Semi standard non polar33892256
Cefpodoxime,3TBDMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC13811.6Standard non polar33892256
Cefpodoxime,3TBDMS,isomer #3COCC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC15071.5Standard polar33892256
Cefpodoxime,4TBDMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC14014.9Semi standard non polar33892256
Cefpodoxime,4TBDMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC13991.8Standard non polar33892256
Cefpodoxime,4TBDMS,isomer #1COCC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N2C(=O)[C@@H](N(C(=O)/C(=N\OC)C3=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N3)[Si](C)(C)C(C)(C)C)[C@H]2SC14893.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cefpodoxime GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4j-4947100000-7fb35c48f19f043ffd922017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefpodoxime GC-MS (1 TMS) - 70eV, Positivesplash10-05fr-6921700000-58a4337e22cba20cc0ef2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefpodoxime GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefpodoxime 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 - Cefpodoxime 10V, Positive-QTOFsplash10-000f-3985400000-0154e7f09d2f653a943a2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 20V, Positive-QTOFsplash10-000l-6962000000-f322fc3d8142ba0bf8bd2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 40V, Positive-QTOFsplash10-052k-9410000000-6ec94e250ee3855436d02016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 10V, Negative-QTOFsplash10-000i-0394200000-f82d810f5962c73616b92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 20V, Negative-QTOFsplash10-0a4r-0985000000-8838e20245454c8e1d492016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 40V, Negative-QTOFsplash10-052f-9300000000-f94d3d2cfe84b8759f732016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 10V, Positive-QTOFsplash10-004i-0112900000-ef8c17b834d10ab1dc102021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 20V, Positive-QTOFsplash10-004l-0974400000-7de521b6e2378ed6aa762021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 40V, Positive-QTOFsplash10-00or-0932000000-668fd39f91346dc7bda32021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 10V, Negative-QTOFsplash10-004i-0020900000-83196a2f72372a36d5ec2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 20V, Negative-QTOFsplash10-000i-3942100000-3015cf0e9ee5da87c1232021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefpodoxime 40V, Negative-QTOFsplash10-05fr-8903000000-38737d4a75454f9a4d1b2021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01416 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01416 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01416
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4891496
KEGG Compound IDC08114
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCefpodoxime
METLIN IDNot Available
PubChem Compound6335986
PDB IDNot Available
ChEBI ID3504
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. Fukutsu N, Sakamaki Y, Kawasaki T, Saito K, Nakazawa H: Verification of cefmetazole and cefpodoxime proxetil contamination to other pharmaceuticals by liquid chromatography-tandem mass spectrometry. Chem Pharm Bull (Tokyo). 2006 Oct;54(10):1469-72. [PubMed:17015995 ]
  2. Fukutsu N, Sakamaki Y, Kawasaki T, Saito K, Nakazawa H: LC/MS/MS method for the determination of trace amounts of cefmetazole and cefpodoxime proxetil contaminants in pharmaceutical manufacturing environments. J Pharm Biomed Anal. 2006 Jun 16;41(4):1243-50. Epub 2006 May 15. [PubMed:16704914 ]