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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26ClN3O
Molecular Weight 335.872
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYCHLOROQUINE, (S)-

SMILES

CCN(CCO)CCC[C@H](C)NC1=CC=NC2=C1C=CC(Cl)=C2

InChI

InChIKey=XXSMGPRMXLTPCZ-AWEZNQCLSA-N
InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H26ClN3O
Molecular Weight 335.872
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibition of HIV-1 replication by hydroxychloroquine: mechanism of action and comparison with zidovudine.
1996 Nov-Dec
In silico prediction of pregnane X receptor activators by machine learning approaches.
2007 Jan
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:51:44 GMT 2023
Edited
by admin
on Sat Dec 16 05:51:44 GMT 2023
Record UNII
34U111Z6LU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDROXYCHLOROQUINE, (S)-
Common Name English
HYDROXYCHLOROQUINE, (+)-
Common Name English
ETHANOL, 2-((4-((7-CHLORO-4-QUINOLINYL)AMINO)PENTYL)ETHYLAMINO)-, (S)-
Common Name English
(S)-(+)-HYDROXYCHLOROQUINE
Common Name English
ETHANOL, 2-(((4S)-4-((7-CHLORO-4-QUINOLINYL)AMINO)PENTYL)ETHYLAMINO)-
Systematic Name English
(S)-HYDROXYCHLOROQUINE
Common Name English
Code System Code Type Description
FDA UNII
34U111Z6LU
Created by admin on Sat Dec 16 05:51:44 GMT 2023 , Edited by admin on Sat Dec 16 05:51:44 GMT 2023
PRIMARY
PUBCHEM
178396
Created by admin on Sat Dec 16 05:51:44 GMT 2023 , Edited by admin on Sat Dec 16 05:51:44 GMT 2023
PRIMARY
CAS
137433-24-0
Created by admin on Sat Dec 16 05:51:44 GMT 2023 , Edited by admin on Sat Dec 16 05:51:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID30160181
Created by admin on Sat Dec 16 05:51:44 GMT 2023 , Edited by admin on Sat Dec 16 05:51:44 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY