7-苯乙酰氨基-3-氯甲基-4-头孢烷酸二苯甲基酯 | 64308-63-0
中文名称:
7-苯乙酰氨基-3-氯甲基-4-头孢烷酸二苯甲基酯
英文名称:
7-Phenylacetamide-3-chloromethyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester
CAS No.:
64308-63-0
分子式:
C2 9 H2 5 N2 O4 SCl
分子量:
533.0378
名称和标识符
MDL
MFCD00191254
InChIKey
BCMPVBNNIHFSLU-UFHPHHKVSA-N
Inchi
1S/C29H25ClN2O4S/c30-17-22-18-37-28-24(31-23(33)16-19-10-4-1-5-11-19)27(34)32(28)25(22)29(35)36-26(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,24,26,28H,16-18H2,(H,31,33)/t24?,28-/m0/s1
SMILES
O=C1N2C(C(OC(C3=CC=CC=C3)C4=CC=CC=C4)=O)=C(CS[C@@H]2[C@@H]1NC(CC5=CC=CC=C5)=O)CCl
别名信息
- 中文别名 -
7-苯乙酰氨基-3-氯甲基-4-头孢烷酸二苯甲基酯
卤代甲基头孢
7-苯乙酰氨基-3-氯甲基-4-头孢烷
卤代甲基头孢(GCLH)
头孢中间体
7-苯乙酰氨基-8-氧代-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-3-氯甲基-2-羧酸二苯甲基酯
- 英文别名 -
(6R,7R)-Benzhydryl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7-PHENYLACETAMIDE-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLIC ACID DIPHENYLMETHYL ESTER
GCLH:7-PHENYLACETAMIDO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLIC ACID DIPHENYL METHYL ESTER
7-Phenylacetamide-3-
7-Phenylacetamido-3-chloromethyl-3-Cephem-4-Carboxylic Acid Diphenyl Methyl Ester(GCLH)
7-PHENYLACETAMIDO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLIC ACIDDI-PHENYL METHYL ESTER (GCLH)
GCLH
7-Phenylacetamido-3-chloromethyl-3-cephem-4-carboxylic acid di-phenyl methyl ester
SCHEMBL9699333
64308-63-0
AKOS005146281
benzhydryl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-Benzhydryl3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
BCMPVBNNIHFSLU-UFHPHHKVSA-N
CS-W006966
(6R,7R)-Benzhydryl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-aza bicyclo[4.2.0]oct-2-ene-2-carboxylate
MFCD00191254
DIPHENYLMETHYL (6R,7R)-3-(CHLOROMETHYL)-8-OXO-7-(2-PHENYLACETAMIDO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
AS-14132
Benzhydryl 3-chloromethyl-7beta-phenylacetamido-3-cephem-4-carboxylate
diphenylmethyl 3-chloromethyl-7beta-phenylacetamidoceph-3-em-4-carboxylate
benzhydryl [6R,7R]-3-chloromethyl-8-oxo-7-phenylacetylamino-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate
7-Phenylacetamide-3-chloromethyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester
物化性质
实验特性
LogP
4.78350
PSA
101.01000
折射率
1.685
沸点
778.9 °C at 760 mmHg
熔点
122-128°C
闪点
424.9 °C
颜色与性状
灰白色至淡黄色结晶粉末
密度
1.39
计算特性
精确分子量
532.12200
氢键供体数量
1
氢键受体数量
6
可旋转化学键数量
10
同位素质量
532.1223562g/mol
重原子数量
37
复杂度
859
同位素原子数量
0
确定原子立构中心数量
2
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
4.4
拓扑分子极性表面积
101Ų