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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

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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H34Cl2N2
Molecular Weight 325.361
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:43:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:16 GMT 2023
Record UNII
6H7HAQ2DD3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Decamethonium mustard
Common Name English
NSC-49458
Code 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 Sat Dec 16 12:43:16 GMT 2023 , Edited by admin on Sat Dec 16 12:43:16 GMT 2023
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EPA CompTox
DTXSID80996553
Created by admin on Sat Dec 16 12:43:16 GMT 2023 , Edited by admin on Sat Dec 16 12:43:16 GMT 2023
PRIMARY
NSC
49458
Created by admin on Sat Dec 16 12:43:16 GMT 2023 , Edited by admin on Sat Dec 16 12:43:16 GMT 2023
PRIMARY
CAS
7505-47-7
Created by admin on Sat Dec 16 12:43:16 GMT 2023 , Edited by admin on Sat Dec 16 12:43:16 GMT 2023
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PUBCHEM
3084015
Created by admin on Sat Dec 16 12:43:16 GMT 2023 , Edited by admin on Sat Dec 16 12:43:16 GMT 2023
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