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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
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:7-苯乙酰氨基-3-氯甲基-4-头孢烷酸对甲氧基苄酯结构式
253659829
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%

生产方法和用途
用途 头孢菌素的中间体。
专业数据库参考
PubChemId 253659829
参考资料
Reaxys RN 4894110
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