CAS: 545338-89-4; 1-(3-(2-(Dimethylamino)Ethyl)-2-((3-(2-(Dimethylamino)Ethyl)-1H-Indol-5-yl)Methyl)-1H-Indol-5-yl)-N-Methylmethanesulfonamide

英文名称1-(3-(2-(Dimethylamino)Ethyl)-2-((3-(2-(Dimethylamino)Ethyl)-1H-Indol-5-yl)Methyl)-1H-Indol-5-yl)-N-Methylmethanesulfonamide
中文名称琥珀酸舒马曲坦相关物质A
IUPAC名称1-(3-(2-(dimethylamino)ethyl)-2-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1H-indol-5-yl)-N-methylmethanesulfonamide
CAS编号545338-89-4
MFCD编号:MFCD30720077
EINECS号:839-367-4
FDA UNII编号:TG89P1S80G
分子式:C27H37N5O2S分子量:495.69
产品CID: 1523978
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: UVOHQDUMFGSNEJ-UHFFFAOYSA-N
InChI=1S/C27H37N5O2S/c1-28-35(33,34)18-20-7-9-26-24(15-20)22(11-13-32(4)5)27(30-26)16-19-6-8-25-23(14-19)21(17-29-25)10-12-31(2)3/h6-9,14-15,17,28-30H,10-13,16,18H2,1-5H3
计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数11.0

物理性质

熔点115-120°C
PSA:92.61
LogP:4.9691
溶解性Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
外观形态类白色至浅米色
储存条件安瓿瓶, -20°C 冰箱, 在惰性气其中

欧盟法规

C&L通报

上下游产品

sumatripan 3-[2-(dimethylamino)ethyl]-5-indolemethanol ethyl 3-[2-(dimethylamino)ethyl]-5-indolecarboxylate p-aminoethylbenzoate

合成工艺路线路线简述

📜Ethyl 3-[2-(Dimethylamino)Ethyl]-5-Indolecarboxylate置于lithium Aluminium Tetrahydride体系中,用四氢呋喃,丙酸作为反应溶剂,化学反应 5.0H,反应生成 2-[[3-[2-(二甲基氨基)乙基]-1H-吲哚-5-基]甲基]舒马普坦
参考文献:Skwierawska; Paluszkiewicz,Polish Journal Of Chemistry,2003,Vol. 77,# 3,P. 329-332
标题:Skwierawska; Paluszkiewicz,Polish Journal Of Chemistry,2003,Vol. 77,# 3,P. 329-332