Chemical Compound

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(Z)))-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1)

CAS Registry Number 127627-69-4
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(Z)))-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1) 结构式
Primary record

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(Z)))-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1)

库存
7,901 克
纯度
99.7 %
CAS
127627-69-4

化合物标识与属性

CAS
127627-69-4
PubChem CID
9571035
SMILES
CC(=O)OCC1=C(N2C(=O)[C@@H]([C@@H]2SC1)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C(=O)O.CC(=O)OCC1=C(N2C(=O)[C@@H]([C@@H]2SC1)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
Canonical SMILES
CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1.CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1.c1ccc(CNCCNCc2ccccc2)cc1

名称与同义词

  • Benzathine cefotaxime
  • BCTX
  • RefChem:117183
  • SCHEMBL30002333
  • CID9571035
  • 127627-69-4
  • (6S,7S)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;N,N'-dibenzylethane-1,2-diamine
  • (1R,2S,3S,5S)-3-(4-Fluoro-phenyl)-8-propyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • (6S,7S)-3-(acetyloxymethyl)-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 acid; N,N-dibenzylethane-1,2-diamine
  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, (6R-(6alpha,7beta(Z)))-, compd. with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1)