CAS 1642-54-2|DIETHYLCARBAMAZINE CITRATE SALT|N,N-Diethyl-4-methyl-l-piperazine carboxamide|2-hydroxypropane-1,2,3-tricarboxylic acid; N,N-diethyl-4-methylpiperazine-1-carboxamide|citro; diethylcarb...

基本信息

化学结构

分子式

C₁₆H₂₉N₃O₈

分子量

391.41676

精确质量

391.1954649

电荷

InChI

InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

PGNKBEARDDELNB-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CC(C(=O)O)(CC(=O)O)O.CCN(C(=O)N1CCN(CC1)C)CC

Isomeric Smiles

CCN(CC)C(=O)N1CCN(C)CC1.OC(=O)CC(O)(CC(=O)O)C(=O)O

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-1.3199005

LogD (pH = 7.4)

-0.027173506

Log P

0.09160589

摩尔折射率

58.2767

极化性

22.291203

极化表面积

26.79

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

DIETHYLCARBAMAZINE CITRATE SALTN,N-Diethyl-4-methyl-l-piperazine carboxamide1-二乙胺基甲酰基-4-甲基哌嗪柠檬酸盐Diethylcarbamazine citrate salt乙胺嗪柠檬酸盐N,N-Diethyl-4-methyl-1-piperazinecarboxamide citrate saltFilaribitsHetrazanLoxuranN,N-Diethyl-4-methyl-1-piperazinecarboxamide 2-Hydroxy-1,2,3-propanetricarboxylateFilazineFranocideDitrazin CitrateDitrazineNSC 80513Ethodryl CitrateLongicidFranozanEthylaminoazine CitrateN,N-Diethyl-4-methyl-1-piperazinecarboxamide Dihydrogen CitrateDiethylcarbamazine CitrateDirocide

IUPAC标准名

2-hydroxypropane-1,2,3-tricarboxylic acid; N,N-diethyl-4-methylpiperazine-1-carboxamide

IUPAC传统名

citro; diethylcarbamazine

名称和标识

数据登录号

EC号

216-696-6

CAS号

1642-54-2

PubChem SID

2489422316209268724869925