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CHEBI:204928 - cefotaxime

ChEBI IDCHEBI:204928
ChEBI Namecefotaxime
Stars
DefinitionA cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups.
Secondary ChEBI IDsCHEBI:3497, CHEBI:41475, CHEBI:112504
Last Modified13 February 2018
DownloadsMolfile

FormulaC16H17N5O7S2
Net Charge0
Average Mass455.474
Monoisotopic Mass455.05694
SMILES[H][C@]12SCC(COC(C)=O)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1
InChIInChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
InChIKeyGPRBEKHLDVQUJE-QSWIMTSFSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
3-(acetoxymethyl)-7β-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid
INNs  Source
cefotaximeKEGG DRUG
cefotaxima  esChemIDplus
cefotaximum  laChemIDplus
Synonyms  Source
(6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acidChEMBL
(6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acidChEMBL
CephotaximeChemIDplus
(6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidIUPAC
Manual XrefsDatabases
C06885KEGG COMPOUND
CE3PDBeChem
D07647KEGG DRUG
DB00493DrugBank
DE2556736Patent
US4098888Patent
DE2702501Patent
US4152432Patent
CefotaximeWikipedia
546DrugCentral
Registry NumbersSources
Beilstein:1096643Beilstein
Reaxys:1096643Reaxys
CAS:63527-52-6KEGG COMPOUND
CAS:63527-52-6KEGG DRUG
CAS:63527-52-6ChemIDplus
CAS:63527-52-6DrugBank
Citations