U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C18H24Cl3N3
Molecular Weight 388.762
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROQUINE MUSTARD

SMILES

CC(CCCN(CCCl)CCCl)NC1=CC=NC2=C1C=CC(Cl)=C2

InChI

InChIKey=OXCSNJULRYCPDZ-UHFFFAOYSA-N
InChI=1S/C18H24Cl3N3/c1-14(3-2-10-24(11-7-19)12-8-20)23-17-6-9-22-18-13-15(21)4-5-16(17)18/h4-6,9,13-14H,2-3,7-8,10-12H2,1H3,(H,22,23)

HIDE SMILES / InChI

Approval Year

Name Type Language
CHLOROQUINE MUSTARD
Common Name English
1,4-PENTANEDIAMINE, N1,N1-BIS(2-CHLOROETHYL)-N4-(7-CHLORO-4-QUINOLINYL)-
Systematic Name English
Code System Code Type Description
CAS
3562-71-8
Created by admin on Sat Dec 16 08:47:02 GMT 2023 , Edited by admin on Sat Dec 16 08:47:02 GMT 2023
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EPA CompTox
DTXSID20956994
Created by admin on Sat Dec 16 08:47:02 GMT 2023 , Edited by admin on Sat Dec 16 08:47:02 GMT 2023
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PUBCHEM
83822
Created by admin on Sat Dec 16 08:47:02 GMT 2023 , Edited by admin on Sat Dec 16 08:47:02 GMT 2023
PRIMARY
FDA UNII
V891C841Y0
Created by admin on Sat Dec 16 08:47:02 GMT 2023 , Edited by admin on Sat Dec 16 08:47:02 GMT 2023
PRIMARY