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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H22Cl3N3.ClH
Molecular Weight 459.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROQUINE-ETHYL PHENYL MUSTARD

SMILES

Cl.ClCCN(CCCl)C1=CC=C(CCNC2=C3C=CC(Cl)=CC3=NC=C2)C=C1

InChI

InChIKey=GBIRJUAVGJFGSS-UHFFFAOYSA-N
InChI=1S/C21H22Cl3N3.ClH/c22-9-13-27(14-10-23)18-4-1-16(2-5-18)7-11-25-20-8-12-26-21-15-17(24)3-6-19(20)21;/h1-6,8,12,15H,7,9-11,13-14H2,(H,25,26);1H

HIDE SMILES / InChI

Molecular Formula C21H22Cl3N3
Molecular Weight 422.778
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:46:49 GMT 2023
Edited
by admin
on Sat Dec 16 12:46:49 GMT 2023
Record UNII
I15USM33QS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLOROQUINE-ETHYL PHENYL MUSTARD
Common Name English
NSC-50982
Code English
4-QUINOLINAMINE, N-(2-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)ETHYL)-7-CHLORO-, MONOHYDROCHLORIDE
Systematic Name English
4-QUINOLINAMINE, N-(2-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)ETHYL)-7-CHLORO-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
4465-92-3
Created by admin on Sat Dec 16 12:46:49 GMT 2023 , Edited by admin on Sat Dec 16 12:46:49 GMT 2023
PRIMARY
FDA UNII
I15USM33QS
Created by admin on Sat Dec 16 12:46:49 GMT 2023 , Edited by admin on Sat Dec 16 12:46:49 GMT 2023
PRIMARY
NSC
50982
Created by admin on Sat Dec 16 12:46:49 GMT 2023 , Edited by admin on Sat Dec 16 12:46:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID70196262
Created by admin on Sat Dec 16 12:46:49 GMT 2023 , Edited by admin on Sat Dec 16 12:46:49 GMT 2023
PRIMARY
PUBCHEM
78216
Created by admin on Sat Dec 16 12:46:49 GMT 2023 , Edited by admin on Sat Dec 16 12:46:49 GMT 2023
PRIMARY