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...

General Information

Structure

Molecular Formula

C₁₆H₂₉N₃O₈

Molecular Mass

391.41676

Exact Mass

391.1954649

Charge

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3199005

LogD (pH = 7.4)

-0.027173506

Log P

0.09160589

Molar Refractivity

58.2767

Polarizability

22.291203

Polar Surface Area

26.79

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

N,N-Diethyl-4-methyl-l-piperazine carboxamideDIETHYLCARBAMAZINE CITRATE SALT1-二乙胺基甲酰基-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 saltFilaribitsFilazineLoxuranN,N-Diethyl-4-methyl-1-piperazinecarboxamide 2-Hydroxy-1,2,3-propanetricarboxylateHetrazanNSC 80513Ethodryl CitrateDitrazin CitrateDitrazineFranocideFranozanLongicidEthylaminoazine CitrateN,N-Diethyl-4-methyl-1-piperazinecarboxamide Dihydrogen CitrateDirocideDiethylcarbamazine Citrate

IUPAC name

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

IUPAC Traditional name

citro; diethylcarbamazine

Names and Identifiers

Registration numbers

EC Number

216-696-6

CAS Number

1642-54-2

PubChem SID

2489422316209268724869925