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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.C5H10O2
Molecular Weight 426.5494
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE VALERATE

SMILES

C=C[C@@]1([H])CN2CC[C@@]1([H])C[C@@]2([H])[C@@]([H])(c3ccnc4ccc(cc34)OC)O.CCCCC(=O)O

InChI

InChIKey=YSJITFFVRIOVOZ-DSXUQNDKSA-N
InChI=1S/C20H24N2O2.C5H10O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-3-4-5(6)7/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-4H2,1H3,(H,6,7)/t13-,14-,19-,20+;/m0./s1

HIDE SMILES / InChI
Quinine valerate is a salt of anti-malarial alkaloid quinine. Quinine valerate is considered to exert the same anti-malarial activity as the parent compound. Quinine valerate may be mutagenic in E. coli HCR+ strains.

Approval Year

Name Type Language
QUININE VALERATE
Common Name English
CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, MONOPENTANOATE (SALT)
Systematic Name English
PENTANOIC ACID, COMPD. WITH (8.ALPHA.,9R)-6'-METHOXYCINCHONAN-9-OL (1:1)
Common Name English
Code System Code Type Description
CAS
549-66-6
Created by admin on Fri Jun 25 23:15:13 UTC 2021 , Edited by admin on Fri Jun 25 23:15:13 UTC 2021
PRIMARY
PUBCHEM
76958502
Created by admin on Fri Jun 25 23:15:13 UTC 2021 , Edited by admin on Fri Jun 25 23:15:13 UTC 2021
PRIMARY
EPA CompTox
549-66-6
Created by admin on Fri Jun 25 23:15:13 UTC 2021 , Edited by admin on Fri Jun 25 23:15:13 UTC 2021
PRIMARY
ECHA (EC/EINECS)
208-975-6
Created by admin on Fri Jun 25 23:15:13 UTC 2021 , Edited by admin on Fri Jun 25 23:15:13 UTC 2021
PRIMARY
FDA UNII
71RQP5VD1S
Created by admin on Fri Jun 25 23:15:13 UTC 2021 , Edited by admin on Fri Jun 25 23:15:13 UTC 2021
PRIMARY