7-苯乙酰氨基-3-氯甲基-4-头孢烷酸对甲氧基苄酯 | 104146-10-3
7-苯乙酰氨基-3-氯甲基-4-头孢烷酸对甲氧基苄酯
4-Methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate
104146-10-3
C24H23ClN2O5S
486.9678
名称和标识符
MDL |
MFCD00191253 |
InChIKey |
KFCMZNUGNLCSJQ-NFBKMPQASA-N |
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 |
SMILES |
ClC([H])([H])C1C([H])([H])S[C@]2([H])[C@@]([H])(C(N2C=1C(=O)OC([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])OC([H])([H])[H])=O)N([H])C(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O |
BRN |
4894110 |
别名信息
- 中文别名 -
- 7-苯乙酰氨基-3-氯甲基-4-头孢烷酸对甲氧基苄酯
- (6R,7R)-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-羧酸对甲氧基苄酯
- 3-氯甲基-7-(2-苯基乙酰氨基)-3-头孢烯-4-羧酸4-甲氧基苯甲酯
- 3-氯甲基-7-(2-苯基乙酰氨基)-3-头孢烯-4-甲酸4-甲氧基苯甲酯
- 3-氯甲基头孢
- 7-苯乙酰氨基-3-氯甲基-4-头孢烷
- GCLE(头孢菌素中间体)
- 头孢主环(GCLE)
- 氯代甲基头孢
- 7-苯乙酰胺基-3-氯甲基头孢烷酸对甲氧卞酯
- 7-苯乙酰胺基-3-氯甲基头孢烷酸对甲氧基苄酯
- (GCLE)7-苯乙酰胺基-3-氯甲基头孢烷酸对甲氧卞酯
- 英文别名 -
- 5-Thia-1-azabicyclo(4,2,0)oct-2-ene-2-carboxylic acid, 3-
- (4-methoxyphenyl)methyl (6R)-3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 4-Methoxybenzyl 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate
- GCLE
- 7-Phenglacetamido-3-chloromethyl Cephalosp oranic acid Para methoxybenzyl ester
- 4-Methoxybenzyl 3-Ch
- 4-Methoxybenzyl 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-
carboxylate
- 4-Methoxybenzyl 3-chloromethyl-7-(2-phenyl-acetamido)-3-cephem-4-carboxylate
- (6R,7R)-4-Methoxybenzyl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 3-Chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic Acid 4-Methoxybenzyl Ester
- GCLE:INTERMEDIATE FOR CEPHALOSPORIN
- (4-methoxyphenyl)methylester,(6r-trans)-7-((phenylacetyl)amino)
- 7-phenylacetamido-3-chloromethylcephem-4-carbonicacidp-methoxybenzylester
- 2,0)oct-2-ene-2-carboxylicacid,3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo(
- 7-PHENYLACETAMIDE-3-CHLOROMETHYL-CEPHALOSPORANIC ACID P-METHOXYBENZYL ESTER
- 7-PHENYLACETAMIDO-3-CHLOROMETHYLCEPHEM-4-CARBONICACID-PARA-METHOXYBENZYLESTER
- 5-Thia-1-azabicyclo(4,2,0)oct-2-ene-2-carboxylic acid, 3-
- 7-Phenglacetamido-3-chloromethyl Cephalosporanic acid Para methoxybenzyl ester
- 7-Phenglacetamido-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester
- 4-Methoxybenzyl3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate
- C24H23ClN2O5S
- T517UKN60D
- 7-Phenylacetamido-3-chloromethyl-3-cephem-4-carboxylic acid-p-methoxybenzyl ester
- 7-Phenylacetamido-3-chloromethylcephem-4-carbonic acid p-methoxybenzyl ester
- 5-Thia-1-azabicyclo(4,2,0)oct-2-ene-2-carboxylic acid, 3-(chloromethyl)-8-oxo-7-((phenyl
- 4-Methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate
- 4-methoxybenzyl 3-chloromethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylate
- (6R, 7R)-7-phenylacetamido-3-chloromethylceph-3-em-4-carboxylic acid p-methoxybenzyl ester
- AS-15035
- CS-W019349
- DTXSID101009945
- (4-methoxyphenyl)methyl (6R,7R)-3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- 104146-10-3
- 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)-
- 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)-
- (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
- AMY233
- CHEMBL385813
- 4-Methoxybenzyl (6R,7R)-3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Q27289677
- p-methoxybenzyl 7beta-phenylacetamido-3-chloromethyl-3-cephem-4carboxylate
- AKOS024258507
- AKOS015919832
- M2411
- KFCMZNUGNLCSJQ-NFBKMPQASA-N
- MFCD00191253
- 4-METHOXYBENZYL (6R,7R)-3-(CHLOROMETHYL)-8-OXO-7-((PHENYLACETYL)AMINO)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE
- SCHEMBL6281688
- 7beta-phenylacetamido-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester
- GCLE:Intermediate for Cephalosporin
- EN300-7384329
- NS00006630
- UNII-T517UKN60D
- 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)-
- AKOS032960711
- (6R,7R)-4-Methoxybenzyl3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Z1741974898
- p-Methoxybenzyl 7beta-phenylacetamido-3-chloromethyl-3-cephem-4-carboxylate
物化性质
实验特性
LogP |
3.20270 |
PSA |
110.24000 |
折射率 |
1.657 |
沸点 |
756.6 °C at 760 mmHg |
熔点 |
163-169°C |
闪点 |
411.4 °C |
敏感性 |
对热敏感 |
比旋光度 |
-44° (c=1%, CDCl3) |
密度 |
1.41 |
计算特性
精确分子量 |
486.10200 |
氢键供体数量 |
1 |
氢键受体数量 |
6 |
可旋转化学键数量 |
9 |
同位素质量 |
486.102 |
重原子数量 |
33 |
复杂度 |
777 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
1 |
不确定原子立构中心数量 |
1 |
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) |
2.7 |
拓扑分子极性表面积 |
110 |
海关数据
海关编码 |
2934999090 |
海关数据 |
中国海关编码:
2934999090
概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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