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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22ClN3O
Molecular Weight 307.818
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLETOQUINE, (R)-

SMILES

C[C@H](CCCNCCO)NC1=CC=NC2=C1C=CC(Cl)=C2

InChI

InChIKey=XFICNUNWUREFDP-GFCCVEGCSA-N
InChI=1S/C16H22ClN3O/c1-12(3-2-7-18-9-10-21)20-15-6-8-19-16-11-13(17)4-5-14(15)16/h4-6,8,11-12,18,21H,2-3,7,9-10H2,1H3,(H,19,20)/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H22ClN3O
Molecular Weight 307.818
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:16:40 UTC 2023
Edited
by admin
on Sat Dec 16 11:16:40 UTC 2023
Record UNII
7I5IXJ6BHQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLETOQUINE, (R)-
Common Name English
ETHANOL, 2-(((4R)-4-((7-CHLORO-4-QUINOLINYL)AMINO)PENTYL)AMINO)-
Systematic Name English
(+)-HYDROXYDESETHYLCHLOROQUINE
Common Name English
Code System Code Type Description
FDA UNII
7I5IXJ6BHQ
Created by admin on Sat Dec 16 11:16:40 UTC 2023 , Edited by admin on Sat Dec 16 11:16:40 UTC 2023
PRIMARY
CAS
137433-25-1
Created by admin on Sat Dec 16 11:16:40 UTC 2023 , Edited by admin on Sat Dec 16 11:16:40 UTC 2023
PRIMARY
PUBCHEM
37888190
Created by admin on Sat Dec 16 11:16:40 UTC 2023 , Edited by admin on Sat Dec 16 11:16:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID901305632
Created by admin on Sat Dec 16 11:16:40 UTC 2023 , Edited by admin on Sat Dec 16 11:16:40 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER