CAS: 1313020-25-5; Isopropyl 4-{5-[bis(2-Chloroethyl)Amino]-1-Methyl-1H-Benzimidazol-2-Yl}Butanoate

英文名称Isopropyl 4-{5-[bis(2-Chloroethyl)Amino]-1-Methyl-1H-Benzimidazol-2-Yl}Butanoate
中文名称盐酸苯达莫司汀杂质C
CAS编号1313020-25-5
MFCD编号:MFCD18379187
FDA UNII编号:YQJ22VX3NT
分子式:C19H27Cl2N3O2分子量:400.34
产品CID: 475872
产品分类原料药 → 抗肿瘤药 → 烷化剂类抗肿瘤药

相似结构搜索
InChIKey: TZFYAAMUDJPIML-UHFFFAOYSA-N
1S/C19H27Cl2N3O2/c1-14(2)26-19(25)6-4-5-18-22-16-13-15(7-8-17(16)23(18)3)24(11-9-20)12-10-21/h7-8,13-14H,4-6,9-12H2,1-3H3
计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数11.0

物理性质

沸点550.1±50.0 °C at 760 mmHg
闪点286.5±30.1 °C
密度1.2±0.1 g/cm3
LogP:4.03
折射率1.566
蒸汽压0.0±1.5 mmHg at 25°C
溶解性Chloroform (Slightly), Methanol (Slightly)
外观形态白色至类白色固体

MSDS等安全信息

警示词warning
危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
防范说明P264+P280+P305+P351+P338+P337+P313
安全声明H303+H313+H333

上下游产品

isopropyl 4-(5-bis(2-hydroxyethyl)amino-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate isopropyl 4-(5-amino-1-methyl-1H-benzo[d]imidazol-2-yl)butanoate bendamustine hydr°Chloride isopropyl alcoholbendamustine hydr°Chloride

合成工艺路线路线简述

📜4-{5-[双-(2-羟基乙基)氨基]-1-甲基-1H-苯并咪唑-2-基}-丁酸异丙酯以61的收率获得盐酸苯达莫司汀杂质c
参考文献: Preparation Of Bendamustine And Its Salts[fr] Préparation De La Bendamustine Et De Ses Sels
标题: Preparation Of Bendamustine And Its Salts[fr] Préparation De La Bendamustine Et De Ses Sels
摘要:本申请涉及制备苯达莫司汀及其药用可接受盐的过程.