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

Details

Stereochemistry RACEMIC
Molecular Formula C18H26ClN3
Molecular Weight 319.872
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-CHLOROCHLOROQUINE

SMILES

CCN(CC)CCCC(C)NC1=C2C(Cl)=CC=CC2=NC=C1

InChI

InChIKey=CHDBGFBFAXJWRC-UHFFFAOYSA-N
InChI=1S/C18H26ClN3/c1-4-22(5-2)13-7-8-14(3)21-17-11-12-20-16-10-6-9-15(19)18(16)17/h6,9-12,14H,4-5,7-8,13H2,1-3H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C18H26ClN3
Molecular Weight 319.872
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 Sat Dec 16 18:59:56 GMT 2023
Edited
by admin
on Sat Dec 16 18:59:56 GMT 2023
Record UNII
IV2UES5WQ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-CHLOROCHLOROQUINE
Common Name English
N4-(5-CHLOROQUINOLIN-4-YL)-N1,N1-DIETHYLPENTANE-1,4-DIAMINE
Systematic Name English
1,4-PENTANEDIAMINE, N4-(5-CHLORO-4-QUINOLINYL)-N1,N1-DIETHYL-
Systematic Name English
NSC-13276
Code English
5-CHLORO-CHLOROQUINE
Common Name English
5-CHLOROQUINE ISOMER
Common Name English
CHLOROQUINE RELATED COMPOUND E [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
5428-61-5
Created by admin on Sat Dec 16 18:59:57 GMT 2023 , Edited by admin on Sat Dec 16 18:59:57 GMT 2023
PRIMARY
FDA UNII
IV2UES5WQ6
Created by admin on Sat Dec 16 18:59:57 GMT 2023 , Edited by admin on Sat Dec 16 18:59:57 GMT 2023
PRIMARY
PUBCHEM
224624
Created by admin on Sat Dec 16 18:59:57 GMT 2023 , Edited by admin on Sat Dec 16 18:59:57 GMT 2023
PRIMARY
NSC
13276
Created by admin on Sat Dec 16 18:59:57 GMT 2023 , Edited by admin on Sat Dec 16 18:59:57 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP