Diphenylmethyl (6R,7R)-3-(chloromethyl)-7-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate（CAS号：112028-91-8）

头孢噻利母核（氯化物）

基本信息

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CAS号

112028-91-8

分子式

C26H27ClN2O5S

分子量

515.03 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

农用化学品农药除草剂

实验室化学品科研化学品生化试剂

基本物理性质

SMILES

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CC(C)(C)OC(=O)NC1C2N(C1=O)C(=C(CS2)CCl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27ClN2O5S/c1-26(2,3)34-25(32)28-19-22(30)29-20(18(14-27)15-35-23(19)29)24(31)33-21(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19,21,23H,14-15H2,1-3H3,(H,28,32)/t19-,23-/m1/s1

InChIKey

SYRVNJKDYWWNHD-AUSIDOKSSA-N

LogP

4.620500000000004

拓扑极性表面积

84.94000000000001 Å²

氢键供体/受体

1 / 7

复杂度

827

同义词与引用数据

英文

C26H27ClN2O5S
AC-8825
benzhydryl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylate
benzhydryl (6R,7R)-3-(chloromethyl)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Diphenylmethyl (6R,7R)-7-[(tert-butoxycarbonyl)amino]-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYRVNJKDYWWNHD-AUSIDOKSSA-N
benzhydryl (6r,7r)-3-(chloromethyl)-7-((2-methylpropan-2-yl)oxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
112028-91-8
(6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
DTXSID90471907
CID 11756232
(6R,7R)-Benzhydryl7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
benzhydryl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem 4-carboxylate
A802471
SCHEMBL5148598
Diphenylmethyl 7beta-tert-butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylate
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,3-(chloromethyl)-7-[[(1,1-dimethylethoxy)carbonyl]amino]-8-oxo-,diphenylmethyl ester,(6R,7R)-
AKOS015999169
7β-tert-Butoxycarbonylamino-3-chloromethyl-3-cephem-4-carboxylate
(6R,7R)-3-(chloromethyl)-7-[[(1,1-dimethylethoxy)carbonyl]amino]-8-oxo-5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester
(6R,7R)-Benzhydryl 7-((tert-butoxycarbonyl)amino)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxyl...
DIPHENYLMETHYL 7BETA-TERT-BUTOXYCARBONYLAMINO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLATE
(6R-trans)-3-(chloromethyl)-7-{[(1,1-dimethylethoxy)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester
BOC-ACLH
7β-tert-ButoxycarbonylaMino-3-chloroMethyl-3-cepheM- 4-carboxylate
(6R,7R)-3-(Chloromethyl)-7-[[(tert-butoxy)carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester