Decamethonium mustard

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H34Cl2N2.2ClH
Molecular Weight	398.282
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Decamethonium mustard

Structure Search

SMILES

Cl.Cl.CN(CCCl)CCCCCCCCCCN(C)CCCl

InChI

InChIKey=WXTMDLURDNHFRA-UHFFFAOYSA-N

InChI=1S/C16H34Cl2N2.2ClH/c1-19(15-11-17)13-9-7-5-3-4-6-8-10-14-20(2)16-12-18;;/h3-16H2,1-2H3;2*1H

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Decamethonium mustard

Common Name

English

NSC-49458

Preferred Name

English

1,10-Decanediamine, N1,N10-bis(2-chloroethyl)-N1,N10-dimethyl-, hydrochloride (1:2)

Systematic Name

English

1,10-Decanediamine, N,N?-bis(2-chloroethyl)-N,N?-dimethyl-, dihydrochloride

Systematic Name

English

A-7 (mustard)

Common Name

English

Code System Code Type Description

FDA UNII

6H7HAQ2DD3

Created by admin on Tue Apr 01 19:40:13 GMT 2025 , Edited by admin on Tue Apr 01 19:40:13 GMT 2025

PRIMARY

EPA CompTox

DTXSID80996553

Created by admin on Tue Apr 01 19:40:13 GMT 2025 , Edited by admin on Tue Apr 01 19:40:13 GMT 2025

PRIMARY

NSC

49458

Created by admin on Tue Apr 01 19:40:13 GMT 2025 , Edited by admin on Tue Apr 01 19:40:13 GMT 2025

PRIMARY

CAS

7505-47-7

Created by admin on Tue Apr 01 19:40:13 GMT 2025 , Edited by admin on Tue Apr 01 19:40:13 GMT 2025

PRIMARY

PUBCHEM

3084015

Created by admin on Tue Apr 01 19:40:13 GMT 2025 , Edited by admin on Tue Apr 01 19:40:13 GMT 2025

PRIMARY

SUBSTANCE RECORD


					6H7HAQ2DD3

Decamethonium mustard