U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C14H18ClN3
Molecular Weight 263.766
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BISDESETHYLCHLOROQUINE

SMILES

CC(CCCN)NC1=C2C=CC(Cl)=CC2=NC=C1

InChI

InChIKey=GYEDIFVVTRKXHP-UHFFFAOYSA-N
InChI=1S/C14H18ClN3/c1-10(3-2-7-16)18-13-6-8-17-14-9-11(15)4-5-12(13)14/h4-6,8-10H,2-3,7,16H2,1H3,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C14H18ClN3
Molecular Weight 263.766
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:56:50 GMT 2025
Edited
by admin
on Wed Apr 02 05:56:50 GMT 2025
Record UNII
M48JF33RF8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SN-13617
Preferred Name English
BISDESETHYLCHLOROQUINE
Common Name English
1,4-PENTANEDIAMINE, N4-(7-CHLORO-4-QUINOLINYL)-
Systematic Name English
N,N-DIDEETHYLCHLOROQUINE
Common Name English
BISDEETHYLCHLOROQUINE
Common Name English
Code System Code Type Description
FDA UNII
M48JF33RF8
Created by admin on Wed Apr 02 05:56:50 GMT 2025 , Edited by admin on Wed Apr 02 05:56:50 GMT 2025
PRIMARY
CAS
4298-14-0
Created by admin on Wed Apr 02 05:56:50 GMT 2025 , Edited by admin on Wed Apr 02 05:56:50 GMT 2025
PRIMARY
PUBCHEM
122672
Created by admin on Wed Apr 02 05:56:50 GMT 2025 , Edited by admin on Wed Apr 02 05:56:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID70962823
Created by admin on Wed Apr 02 05:56:50 GMT 2025 , Edited by admin on Wed Apr 02 05:56:50 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
PARENT -> METABOLITE ACTIVE
Related Record Type Details
PARENT -> IMPURITY