4-Methoxybenzyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate（CAS号：104146-10-3）

7-苯乙酰氨基-3-氯甲基-4-头孢烷酸对甲氧基苄酯

基本信息

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CAS号

104146-10-3

分子式

C24H23ClN2O5S

分子量

486.98 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

熔点

163-169°C

沸点

756.6 °C at 760 mmHg

密度

1.41

闪点

411.4 °C

折射率

1.657

比旋光度

-44° (c=1%, CDCl3)

SMILES

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COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)CCl

InChI

InChI=1S/C24H23ClN2O5S/c1-31-18-9-7-16(8-10-18)13-32-24(30)21-17(12-25)14-33-23-20(22(29)27(21)23)26-19(28)11-15-5-3-2-4-6-15/h2-10,20,23H,11-14H2,1H3,(H,26,28)/t20-,23-/m1/s1

InChIKey

KFCMZNUGNLCSJQ-NFBKMPQASA-N

LogP

2.873900000000001

拓扑极性表面积

84.93999999999998 Å²

氢键供体/受体

1 / 7

复杂度

777

安全信息

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危险说明

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

敏感性

thermally sensitive

同义词与引用数据

英文

CHEMBL385813
T517UKN60D
7beta-phenylacetamido-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester
Q27289677
7-Phenylacetamido-3-chloromethyl-3-cephem-4-carboxylic acid-p-methoxybenzyl ester
AS-15035
UNII-T517UKN60D
3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic Acid 4-Methoxybenzyl Ester
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-,(4-methoxyphenyl)methyl ester, (6R,7R)-
AKOS024258507
4-Methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate
4-Methoxybenzyl (6R,7R)-3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
C24H23ClN2O5S
Z1741974898
4-Methoxybenzyl3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate
104146-10-3
NS00006630
AKOS015919832
(4-methoxyphenyl)methyl (6R,7R)-3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7-Phenylacetamido-3-chloromethylcephem-4-carbonic acid p-methoxybenzyl ester
GCLE:Intermediate for Cephalosporin
M2411
AMY233
(6R,7R)-4-Methoxybenzyl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
4-METHOXYBENZYL (6R,7R)-3-(CHLOROMETHYL)-8-OXO-7-((PHENYLACETYL)AMINO)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE
SCHEMBL6281688
(4-Methoxyphenyl)methyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
p-methoxybenzyl 7beta-phenylacetamido-3-chloromethyl-3-cephem-4carboxylate
DTXSID101009945
EN300-7384329
5-Thia-1-azabicyclo(4,2,0)oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-8-oxo-7-((phenylacetyl)amino)-, (4-methoxyphenyl)methyl ester, (6R-trans)-