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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26ClN3.2C5H4N2O4
Molecular Weight 632.065
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROQUINE DIOROTATE, (S)-

SMILES

OC(=O)C1=CC(=O)NC(=O)N1.OC(=O)C2=CC(=O)NC(=O)N2.CCN(CC)CCC[C@H](C)NC3=CC=NC4=CC(Cl)=CC=C34

InChI

InChIKey=IUEFAROUKVNKKL-UTLKBRERSA-N
InChI=1S/C18H26ClN3.2C5H4N2O4/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*8-3-1-2(4(9)10)6-5(11)7-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1H,(H,9,10)(H2,6,7,8,11)/t14-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CHLOROQUINE DIOROTATE, (S)-
Common Name English
4-PYRIMIDINECARBOXYLIC ACID, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-, COMPD. WITH N4-(7-CHLORO-4-QUINOLINYL)-N1,N1-DIETHYL-1,4-PENTANEDIAMINE, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76964564
Created by admin on Sat Dec 16 10:49:06 GMT 2023 , Edited by admin on Sat Dec 16 10:49:06 GMT 2023
PRIMARY
FDA UNII
WN0Q48QU9E
Created by admin on Sat Dec 16 10:49:06 GMT 2023 , Edited by admin on Sat Dec 16 10:49:06 GMT 2023
PRIMARY