(6R,7S)-7-[({[(2S)-2-Amino-2-carboxyethyl]sulfanyl}acetyl)amino]-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid（CAS号：84305-41-9）

(6R,7S)-7-[({[(2S)-2-Amino-2-carboxyethyl]sulfanyl}acetyl)amino]-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

基本信息

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CAS号

84305-41-9

分子式

C16H21N7O7S3

分子量

519.59 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醚类

基础化工原料有机化学品胺类

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

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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CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC(C(=O)O)N)OC)SC2)C(=O)O

InChI

InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/t8-,14-,16+/m1/s1

InChIKey

JSDXOWVAHXDYCU-VXSYNFHWSA-N

LogP

-1.8399999999999954

拓扑极性表面积

202.85999999999996 Å²

氢键供体/受体

5 / 14

复杂度

862

同义词与引用数据

英文

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((((2-amino-2-carboxyethyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7alpha,7(S*)))-
(6R,7S)-7-[[2-[(2S)-2-amino-3-hydroxy-3-oxopropyl]sulfanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CHEBI:135817
DTXSID301016174
cefminox sodium
Cefminox [INN]
SCHEMBL49565
CCRIS 5270
Cefminox
CHEMBL1276342
GTPL12255
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((2-(((2S)-2-AMINO-2-CARBOXYETHYL)THIO)ACETYL)AMINO)-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, (6R,7S)-
(6R,7S)-7-(2-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}acetamido)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7S)-7-[[2-[(2S)-2-amino-2-carboxyethyl]sulfanylacetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
UNII-PW08Y13465
(6R,7S)-7-(2-(((S)-2-Amino-2-carboxyethyl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
(7S)-7-(2-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}acetamido)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid
Mt-141
NCGC00181749-01
DB09062
Cefminox (INN)
CEFMINOX [WHO-DD]
PW08Y13465
84305-41-9
CEFMINOX [MI]
CMNX
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((2S)-2-amino-2-carboxyethyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R,7S)-
75481-73-1
Cefminoxum
NS00011867
MT 141