(E)-cefotaxime

chemical compound

Wikidata entity: Q27262497

C₁₆H₁₇N₅O₇S₂ (P274)

Quantities

P2067mass455.057

P233 canonical SMILES String CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O ???
P3364 stereoisomer of ... Q417968 (cefotaxime) cefotaxime
P3364 stereoisomer of ... Q27166530 ((6R,7R)-3-(acetyloxymethyl)-7-[[2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid) (6R,7R)-3-(acetyloxymethyl)-7-[[2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
P279 subclass of ... Q27166288 (3-(acetyloxymethyl)-7-[[2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid) 3-(acetyloxymethyl)-7-[[2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
External Ids
P231CAS Registry Number63527-53-7
P592ChEMBL IDCHEMBL102
P661ChemSpider ID4586392
P8494DSSTOX compound identifierDTXCID802761
P3117DSSTox substance IDDTXSID501100149
P234InChIInChI=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
P235InChIKeyGPRBEKHLDVQUJE-VINNURBNSA-N
P6689MassBank accession IDMSBNK-Waters-WA001734
P6689MassBank accession IDMSBNK-Waters-WA001735
P6689MassBank accession IDMSBNK-Waters-WA001736
P6689MassBank accession IDMSBNK-Waters-WA001737
P6689MassBank accession IDMSBNK-Waters-WA001738
P11199Probes And Drugs IDPD063115
P662PubChem CID5479527
P2877SureChEMBL ID15410
P11089UniChem compound ID529829
P652UNII5KTC59K32X

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