Cefathiamidine（CAS号：33075-00-2）

头孢硫脒

基本信息

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CAS号

33075-00-2

分子式

C19H28N4O6S2

分子量

472.59 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

熔点

164-170°C

沸点

°Cat760mmHg

密度

1.45

折射率

1.652

比旋光度

+120 ~ +140° (c=1, H2O)

SMILES

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CC(C)NC(=NC(C)C)SCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O

InChI

InChI=1S/C19H28N4O6S2/c1-9(2)20-19(21-10(3)4)31-8-13(25)22-14-16(26)23-15(18(27)28)12(6-29-11(5)24)7-30-17(14)23/h9-10,14,17H,6-8H2,1-5H3,(H,20,21)(H,22,25)(H,27,28)/t14-,17-/m1/s1

InChIKey

JYXACOFERDBGGQ-RHSMWYFYSA-N

LogP

0.7837000000000012

拓扑极性表面积

137.39999999999998 Å²

氢键供体/受体

3 / 10

复杂度

811

安全信息

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GHS危险象形图

H302

危险说明

H302 吞咽有害
急性毒性-经口

同义词与引用数据

英文

Q27270750
3-Chloromethylacetophenone
LS-150050
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-((ACETYLOXY)METHYL)-7-((2-((((1-METHYLETHYL)AMINO)((1-METHYLETHYL)IMINO)METHYL)THIO)ACETYL)AMINO)-8-OXO-, (6R,7R)-
CCG-269465
7-(alpha-((N,N'-Diisopropylamidino)thio)acetylamino)cephalosporanic acid
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(2-((N,N'-diisopropylamidino)thio)acetamido)-3-(hydroxymethyl)-8-oxo-, acetate
XIANLISU
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-[(acetyloxy)methyl]-7-[[[[[(1-methylethyl)amino][(1-methylethyl)imino]methyl]thio]acetyl]amino]-8-oxo-, (6R,7R)-
CEFATHIAMIDINE IMPURITY 3
CHEBI:134698
S4880
D81831
CS-0028153
AS-16044
AKOS025311505
Cefathiamidine
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((((((1-methylethyl)amino)((1-methylethyl)imino)methyl)thio)acetyl)amino)-8-oxo-, (6R-trans)-
(7R)-7-(2-((N,N'-DIISOPROPYLAMIDINO)THIO)ACETAMIDO)CEPHALOSPORANIC ACID
CHEMBL4303356
BCP11974
A918837
8M7CAS5T8L
(6R,7R)-7-(2-((N,N'-DIISOPROPYLAMIDINO)THIO)ACETAMIDO)-3-(HYDROXYMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID ACETATE (ESTER)
UNII-8M7CAS5T8L
(6R,7R)-3-(acetyloxymethyl)-7-[[2-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
33075-00-2
(6R,7R)-3-(acetoxymethyl)-7-(2-(((Z)-N,N'-diisopropylcarbamimidoyl)thio)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CEFATHIAMIDINE [WHO-DD]
HY-107329
(6R,7R)-3-(Acetoxymethyl)-7-(2-(((E)-N,N'-diisopropylcarbamimidoyl)thio)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid