Maropitant Citrate（CAS号：359875-09-5）

马罗皮坦柠檬酸盐水合物

基本信息

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CAS号

359875-09-5

分子式

C38H50N2O9

分子量

660.81 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

153-159 °C

闪点

100 °C

溶解度

H2O: 1 M at 20 °C, clear, colorless

SMILES

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CC(C)(C)C1=CC(=C(C=C1)OC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

InChI

InChI=1S/C32H40N2O.C6H8O7/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t30-,31-;/m0./s1

InChIKey

XDZPFSKCXRGRIO-PNXDLZEOSA-N

LogP

5.128700000000006

拓扑极性表面积

156.63000000000002 Å²

氢键供体/受体

5 / 10

复杂度

848

同义词与引用数据

英文

Maropitant citrate [USAN]
PGVSXRHFXJOMGW-YBZGWEFGSA-N
MAROPITANT CITRATE MONOHYDRATE [MI]
E83993
D04860
(2S,3S)-N-[5-(1,1-Dimethylethyl)-2-methoxybenzyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine 2-hydroxy-1,2,3-propanetricarboxylate (1:1), monohydrate
(2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
Maropitant citrate (USAN)
MAROPITANT CITRATE (EMA EPAR VETERINARY)
SCHEMBL4184310
CHEMBL2107353
(2-Benzhydryl-1-aza-bicyclo(2.2.2)oct-3-yl)-(5-tert-butyl-2-methoxybenzyl)amine
(2S,3S)-N-(5-(1,1-Dimethylethyl)-2-methoxybenzyl)-2-(diphenylmethyl)-1-azabicyclo(2.2.2)octan-3-amine 2-hydroxy-1,2,3-propanetricarboxylate (1:1), monohydrate
(2S,3S)-2-benzhydryl-N-(5-tert-butyl-2-methoxybenzyl) quinuclidin-3-amine citrate monohydrate
AKOS040754594
(2S,2S)-2-benzhydryl-N-(5-tert-butyl-2-methoxybenzyl)quinuclidin-3-amine citrate monohydrate
(2S,3S)-2-Benzhydryl-N-[(5-tert-butyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Citrate Hydrate
MAROPITANT CITRATE MONOHYDRATE
(2S,3S)-2-benzhydryl-N-(5-(tert-butyl)-2-methoxybenzyl)quinuclidin-3-amine 2-hydroxypropane-1,2,3-tricarboxylate hydrate
BS-49286
MAROPITANT CITRATE [EMA EPAR VETERINARY]
Maropitant citrate
CJ-11972
2-Hydroxypropane-1,2,3-tricarboxylic acid--N-[(5-tert-butyl-2-methoxyphenyl)methyl]-2-(diphenylmethyl)-1-azabicyclo[2.2.2]octan-3-amine--water (1/1/1)
CJ-11,972
1-Azabicyclo(2.2.2)octan-3-amine, N-((5-(1,1-dimethylethyl)-2-methoxyphenyl)methyl)-2-(diphenylmethyl)-, (2S,3S)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), monohydrate
Cerenia
EX-A3585
LXN6S3999X
starbld0016570
DTXSID70957411