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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26ClN3.C7H6O3
Molecular Weight 457.993
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

OC(=O)C1=CC=CC=C1O.CCN(CC)CCC[C@H](C)NC2=C3C=CC(Cl)=CC3=NC=C2

InChI

InChIKey=IOLCFTUCDFJACH-UQKRIMTDSA-N
InChI=1S/C18H26ClN3.C7H6O3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;8-6-4-2-1-3-5(6)7(9)10/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);1-4,8H,(H,9,10)/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C18H26ClN3
Molecular Weight 319.872
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C7H6O3
Molecular Weight 138.1207
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 Mon Mar 31 23:09:07 GMT 2025
Edited
by admin
on Mon Mar 31 23:09:07 GMT 2025
Record UNII
1FD9H5D18A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, 2-HYDROXY-, COMPD. WITH N4-(7-CHLORO-4-QUINOLINYL)-N1,N1-DIETHYL-1,4-PENTANEDIAMINE, (S)-
Preferred Name English
CHLOROQUINE SALICYLATE, (S)-
Common Name English
Code System Code Type Description
FDA UNII
1FD9H5D18A
Created by admin on Mon Mar 31 23:09:07 GMT 2025 , Edited by admin on Mon Mar 31 23:09:07 GMT 2025
PRIMARY
PUBCHEM
90478357
Created by admin on Mon Mar 31 23:09:07 GMT 2025 , Edited by admin on Mon Mar 31 23:09:07 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER