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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:49 UTC
Update Date2022-03-07 02:51:36 UTC
HMDB IDHMDB0014412
Secondary Accession Numbers
  • HMDB14412
Metabolite Identification
Common NameCefmenoxime
DescriptionCefmenoxime is only found in individuals that have used or taken this drug. It is a third-generation cephalosporin antibiotic. [Wikipedia ]The bactericidal activity of cefmenoxime results from the inhibition of cell wall synthesis via affinity for penicillin-binding proteins (PBPs). Cefmenoxime is stable in the presence of a variety of b-lactamases, including penicillinases and some cephalosporinases.
Structure
Data?1582753176
Synonyms
ValueSource
(6R,7R)-7-((Z)-2-(2-Amino-4-thiazolyl)-2-methoxyiminoacetamido)-3-((1-methyl-1H-5-tetraazolylthio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeureChEBI
(6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (iupac)ChEBI
CefmenoximaChEBI
CefmenoximumChEBI
CMXChEBI
(6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (iupac)Generator
(6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulphanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (iupac)Generator
(6R,7R)-7-[[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulphanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (iupac)Generator
Abbott 50192HMDB
Abbott-50192HMDB
Cefmenoxime hydrochlorideHMDB
Cefmenoxime hydrochloride (2:1)HMDB
Hydrochloride, cefmenoximeHMDB
Abbott50192HMDB
CefmaxHMDB
Chemical FormulaC16H17N9O5S3
Average Molecular Weight511.558
Monoisotopic Molecular Weight511.051476769
IUPAC Name(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Traditional Namecefmenoxime
CAS Registry Number65085-01-0
SMILES
[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O
InChI Identifier
InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8-/t9-,13-/m1/s1
InChI KeyHJJDBAOLQAWBMH-YCRCPZNHSA-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-disubstituted 1,3-thiazole
  • Alkylarylthioether
  • Meta-thiazine
  • 1,3-thiazol-2-amine
  • Azole
  • Heteroaromatic compound
  • Tertiary carboxylic acid amide
  • Tetrazole
  • Thiazole
  • Amino acid or derivatives
  • Azetidine
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Hemithioaminal
  • Thioether
  • Sulfenyl compound
  • Dialkylthioether
  • Azacycle
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Amine
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxide
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Primary amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.45 g/LNot Available
LogP-1.3Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.45 g/LALOGPS
logP-0.13ALOGPS
logP-0.83ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)3.04ChemAxon
pKa (Strongest Basic)4.14ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area190.81 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity133.51 m³·mol⁻¹ChemAxon
Polarizability47.04 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]+214.36431661259
DarkChem[M-H]-202.96431661259
DeepCCS[M-2H]-233.85630932474
DeepCCS[M+Na]+209.28130932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cefmenoxime[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O5236.8Standard polar33892256
Cefmenoxime[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O4077.2Standard non polar33892256
Cefmenoxime[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O4538.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cefmenoxime,1TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N)=N14663.2Semi standard non polar33892256
Cefmenoxime,1TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N14752.9Semi standard non polar33892256
Cefmenoxime,1TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N14551.2Semi standard non polar33892256
Cefmenoxime,2TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N14628.9Semi standard non polar33892256
Cefmenoxime,2TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N13695.7Standard non polar33892256
Cefmenoxime,2TMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C)=N18041.7Standard polar33892256
Cefmenoxime,2TMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N14424.5Semi standard non polar33892256
Cefmenoxime,2TMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N13729.0Standard non polar33892256
Cefmenoxime,2TMS,isomer #2CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N)=N17560.4Standard polar33892256
Cefmenoxime,2TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N14508.3Semi standard non polar33892256
Cefmenoxime,2TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N13772.8Standard non polar33892256
Cefmenoxime,2TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N17572.2Standard polar33892256
Cefmenoxime,2TMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N14574.7Semi standard non polar33892256
Cefmenoxime,2TMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N13838.7Standard non polar33892256
Cefmenoxime,2TMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N17807.3Standard polar33892256
Cefmenoxime,3TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N14419.4Semi standard non polar33892256
Cefmenoxime,3TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N13735.5Standard non polar33892256
Cefmenoxime,3TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N[Si](C)(C)C)=N17119.3Standard polar33892256
Cefmenoxime,3TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N14522.3Semi standard non polar33892256
Cefmenoxime,3TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N13779.7Standard non polar33892256
Cefmenoxime,3TMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N17490.6Standard polar33892256
Cefmenoxime,3TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N14386.9Semi standard non polar33892256
Cefmenoxime,3TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N13857.9Standard non polar33892256
Cefmenoxime,3TMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N16975.8Standard polar33892256
Cefmenoxime,4TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N14354.0Semi standard non polar33892256
Cefmenoxime,4TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N13831.3Standard non polar33892256
Cefmenoxime,4TMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C)C1=CSC(N([Si](C)(C)C)[Si](C)(C)C)=N16601.9Standard polar33892256
Cefmenoxime,1TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N)=N14871.2Semi standard non polar33892256
Cefmenoxime,1TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14916.2Semi standard non polar33892256
Cefmenoxime,1TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N14765.1Semi standard non polar33892256
Cefmenoxime,2TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14939.8Semi standard non polar33892256
Cefmenoxime,2TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14123.8Standard non polar33892256
Cefmenoxime,2TBDMS,isomer #1CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N[Si](C)(C)C(C)(C)C)=N17678.8Standard polar33892256
Cefmenoxime,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=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N14802.1Semi standard non polar33892256
Cefmenoxime,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=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N14137.7Standard non polar33892256
Cefmenoxime,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=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N)=N17338.1Standard polar33892256
Cefmenoxime,2TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14826.3Semi standard non polar33892256
Cefmenoxime,2TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14199.0Standard non polar33892256
Cefmenoxime,2TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N17203.4Standard polar33892256
Cefmenoxime,2TBDMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14964.2Semi standard non polar33892256
Cefmenoxime,2TBDMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14217.9Standard non polar33892256
Cefmenoxime,2TBDMS,isomer #4CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N17491.9Standard polar33892256
Cefmenoxime,3TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14900.7Semi standard non polar33892256
Cefmenoxime,3TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N14314.6Standard non polar33892256
Cefmenoxime,3TBDMS,isomer #1CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N[Si](C)(C)C(C)(C)C)=N16823.7Standard polar33892256
Cefmenoxime,3TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N15020.3Semi standard non polar33892256
Cefmenoxime,3TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14327.4Standard non polar33892256
Cefmenoxime,3TBDMS,isomer #2CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(CSC3=NN=NN3C)CS[C@H]12)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N17163.5Standard polar33892256
Cefmenoxime,3TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14907.3Semi standard non polar33892256
Cefmenoxime,3TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N14414.8Standard non polar33892256
Cefmenoxime,3TBDMS,isomer #3CO/N=C(\C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(CSC3=NN=NN3C)CS[C@H]12)[Si](C)(C)C(C)(C)C)C1=CSC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N16655.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cefmenoxime GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4i-1945400000-72f36d4c6f6d9c1e3a502017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cefmenoxime GC-MS (1 TMS) - 70eV, Positivesplash10-02ms-3449040000-6325f12291f955a3f7ca2017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 10V, Negative-QTOFsplash10-014r-1790210000-9ed707ebb4303fdd4bc12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 20V, Negative-QTOFsplash10-0aor-9830000000-2dea4625133436d761a02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 40V, Negative-QTOFsplash10-052f-9300000000-760eab5c414683fc8c032016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 10V, Negative-QTOFsplash10-03xr-0510090000-f965a15d60dcaffdabbc2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 20V, Negative-QTOFsplash10-014i-2930010000-b514d4f8bf7bd24153192021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 40V, Negative-QTOFsplash10-06di-7900100000-310ae12964bcb4b8d87a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 10V, Positive-QTOFsplash10-0096-1092410000-950d197f499c1d95b55f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 20V, Positive-QTOFsplash10-05bb-7296100000-bd0ee3d042cbe747bb4b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 40V, Positive-QTOFsplash10-006t-7191100000-0d4903a879411cad0b8e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 10V, Positive-QTOFsplash10-03dj-0029180000-5093eb577e1809ed59c92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 20V, Positive-QTOFsplash10-03e9-0491430000-e8ea4001adac160f53572021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cefmenoxime 40V, Positive-QTOFsplash10-0fb9-0922400000-7180ce800ab10bcc31152021-09-24Wishart 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
  • 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 DB00267 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00267 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00267
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID7845223
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkCefmenoxime
METLIN IDNot Available
PubChem Compound9570757
PDB IDNot Available
ChEBI ID55490
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. Tsuchiya K, Kondo M, Kida M, Nakao M, Iwahi T, Nishi T, Noji Y, Takeuchi M, Nozaki Y: Cefmenoxime (SCE-1365), a novel broad-spectrum cephalosporin: in vitro and in vivo antibacterial activities. Antimicrob Agents Chemother. 1981 Jan;19(1):56-65. [PubMed:6941742 ]
  2. Yokota N, Koguchi M, Suzuki Y, Fukayama S, Ishihara R, Deguchi K, Oda S, Tanaka S, Nakane Y, Fukumoto T: [Antibacterial activities of cefmenoxime against recent fresh clinical isolates from patients in sinusitis]. Jpn J Antibiot. 1995 May;48(5):602-9. [PubMed:7637194 ]
  3. Duncker GI, Reich U, Krausse R: Cefmenoxime in corneal organ culture. Ophthalmologica. 1994;208(5):262-6. [PubMed:7816419 ]
  4. Paladino JA, Fell RE: Pharmacoeconomic analysis of cefmenoxime dual individualization in the treatment of nosocomial pneumonia. Ann Pharmacother. 1994 Mar;28(3):384-9. [PubMed:8193431 ]