CAS: 1075727-00-2; (1R,2R)-2-(3-(Tert-Butoxy)-3-Oxopropyl)-1-(3,4-Dimethoxybenzyl)-6,7-Dimethoxy-2-Methyl-1,2,3,4-Tetrahydroisoquinolin-2-Ium Benzenesulfonate

• 英文名称(1R,2R)-2-(3-(Tert-Butoxy)-3-Oxopropyl)-1-(3,4-Dimethoxybenzyl)-6,7-Dimethoxy-2-Methyl-1,2,3,4-Tetrahydroisoquinolin-2-Ium Benzenesulfonate
• 中文名称(1R,2R)-1-[(3,4-二甲氧基苯基)甲基]-2-[3-(叔丁氧基)-3-氧代丙基]-1,2,3,4-四氢-6,7-二甲氧基-2-甲基异喹啉苯磺酸盐
• IUPAC名称(1R,2R)-2-(3-(tert-butoxy)-3-oxopropyl)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium benzenesulfonate
• 其它别名(1R,2R)-1-[(3,4-Dimethoxyphenyl)Methyl]-2-[3-(Tert-Butoxy)-3-Oxopropyl]-1,2,3,4-Tetrahydro-6,7-Dimethoxy-2-Methylisoquinolinium Benzenesulfonate; Atracurium Impurity 25 Besylate; Cisatracurium Quaternary Ammonium Salt; Atracurium Impurity 48; Cisatracurium Besilate Impurity 24; (1R,2R)-1-(3,4-Dimethoxybenzyl)-6,7-Dimethoxy-2-Methyl-2-{3-[(2-M Ethyl-2-Propanyl)Oxy]-3-Oxopropyl}-1,2,3,4-Tetrahydroisoquinolini Um Benzenesulfonate; Cisquaternary Ammonium Salt; ((1R,2R)-2-(3-(Tert-Butoxy)-3-Oxopropyl)-1-(3,4-Dimethoxybenzyl)-6,7-Dimethoxy-2-Methyl-1,2,3,4-Tetrahydroisoquinolin-2-Ium Benzenesulfonate)
• CAS编号1075727-00-2
• 分子式:C34H45NO9S
• 分子量:643.8
• 产品CID: 113668
• 产品分类医药中间体

• 相似结构搜索
• InChIKey: QDYZRXDXBZSEKV-OPMZCBONSA-M
• InChI=1S/C28H40NO6.C6H6O3S/c1-28(2,3)35-27(30)12-14-29(4)13-11-20-17-25(33-7)26(34-8)18-21(20)22(29)15-19-9-10-23(31-5)24(16-19)32-6;7-10(8,…
• 计算化学: 氢键受体数9.0氢键供体数0.0可旋转键数11.0

物理性质

• PSA:128.8
• LogP:6.3696
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态白色至淡黄色固体
• 产品应用该化合物用于药物中间体.

MSDS等安全信息

合成工艺路线路线简述

• 合成目标产物 (1R,2R)-1-[(3,4-Dimethoxyphenyl)Methyl]-2-[3-(Tert-Butoxy)-3-Oxopropyl]-1,2,3,4-Tetrahydro-6,7-Dimethoxy-2-Methylisoquinolinium Benzenesulfonate 主要起始原料 (R)-Tert-Butyl-N-Butanoate Norlaudanosine Oxalate And Methyl Benzenesulfonate
• (文献来源)合成步骤主要原料 (R)-Tert-Butyl-N-Butanoate Norlaudanosine Oxalate 和 Methyl Benzenesulfonate

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管