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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.C5H10O2
Molecular Weight 426.5485
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE VALERATE

SMILES

CCCCC(O)=O.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C3=C4C=C(OC)C=CC4=NC=C3

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

Molecular Formula C5H10O2
Molecular Weight 102.1317
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H24N2O2
Molecular Weight 324.4168
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:58:57 UTC 2023
Edited
by admin
on Sat Dec 16 10:58:57 UTC 2023
Record UNII
71RQP5VD1S
Record Status Validated (UNII)
Record Version
  • Download
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 Sat Dec 16 10:58:58 UTC 2023 , Edited by admin on Sat Dec 16 10:58:58 UTC 2023
PRIMARY
PUBCHEM
76958502
Created by admin on Sat Dec 16 10:58:58 UTC 2023 , Edited by admin on Sat Dec 16 10:58:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID00203397
Created by admin on Sat Dec 16 10:58:58 UTC 2023 , Edited by admin on Sat Dec 16 10:58:58 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-975-6
Created by admin on Sat Dec 16 10:58:58 UTC 2023 , Edited by admin on Sat Dec 16 10:58:58 UTC 2023
PRIMARY
FDA UNII
71RQP5VD1S
Created by admin on Sat Dec 16 10:58:58 UTC 2023 , Edited by admin on Sat Dec 16 10:58:58 UTC 2023
PRIMARY