(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-{[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochlorid e hydrate（CAS番号：154776-45-1）

(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-{[(1H-1,2,3-triazol-5-ylsulfanyl)methyl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochlorid e hydrate

基本情報

編集器で閲覧

CAS番号

154776-45-1

分子式

C15H17ClN8O6S4

分子量

569.07 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品アミン類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

農業化学品農薬除草剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

沸点

°Cat760mmHg

SMILES

編集器で閲覧

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O)SCSC4=NNN=C4.O.Cl

InChI

InChI=1S/C15H14N8O5S4.ClH.H2O/c16-15-18-5(2-30-15)8(21-28)11(24)19-9-12(25)23-10(14(26)27)6(3-29-13(9)23)31-4-32-7-1-17-22-20-7;;/h1-2,9,13,28H,3-4H2,(H2,16,18)(H,19,24)(H,26,27)(H,17,20,22);1H;1H2/b21-8-;;/t9-,13-;;/m1../s1

InChIKey

LBWIJMWZWJRRMO-AWXOXGPMSA-N

LogP

-0.2021000000000001

トポロジカル極性表面積

231.27999999999997 Å²

水素結合ドナー/アクセプター

8 / 14

複雑度

860

同義語と引用データ

英語

UNII-PA4O9CKP1M
Cefmatilen hydrochloride hydrate [JAN]
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrate;hydrochloride
Cefmatilen hydrochloride monohydrate
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2-AMINO-4-THIAZOLYL)(HYDROXYIMINO)ACETYL)AMINO)-8-OXO-3-(((1H-1,2,3-TRIAZOL-4-YLTHIO)METHYL)THIO)-, MONOHYDROCHLORIDE, MONOHYDRATE, (6R-(6.ALPHA.,7.BETA.(Z)))-
Cefmatilen hydrochloride hydrate
PA4O9CKP1M
(-)-Cefmatilen monohydrochloride monohydrate
Cefmatilen monohydrochloride monohydrate
Cefmatilen hydrochloride hydrate (JAN)
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]- 8-oxo-3-(2H-triazol-4-ylsulfa
S-1090
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(hydroxyimino)acetyl)amino)-8-oxo-3-(((1H-1,2,3-triazol-4-ylthio)methyl)thio)-, monohydrochloride, monohydrate, (6R-(6alpha,7beta(Z)))-
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(hydroxyimino)acetyl)amino)-8-oxo-3-(((1H-1,2,3-triazol-4-ylthio)methyl)thio)-, monohydrochloride, monohydrate, (6R,7R)-
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl)amino)-8-oxo-3-(((1H-1,2,3-triazol-5-ylthio)methyl)thio)-, hydrochloride, hydrate (1:1:1), (6R,7R)-
D01961
154776-45-1
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-8-oxo-3-[[(1H-1,2,3-triazol-5-ylthio)methyl]thio]-,hydrochloride, hydrate (1:1:1), (6R,7R)-
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-{[(2H-1,2,3-triazol-4-ylsulfanyl)methyl]sulfanyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride hydrate
(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,hydrate,hydrochloride
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydro...
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-8-oxo-3-[
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-8-oxo-3-[[(1H-1,2,3-triazol-5-ylthio)methyl]thio]-,hydrochloride, hydrate (1:1:1), (
CEFMATILEN HYDROCHLORIDE HYDRATE
(-)-(6R,7R)-7-[2-(2-Aminothiazol-4-yl)-2(Z)-(hydroxyimino)acetamido]-3-(1H-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-3-cephem-4-carboxylic acid monohydrochloride monohydrate
(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-acetyl]amino]- 8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4. 2.0]oct-2-ene-2-carboxylic acid hydrate hydrochloride