QUININE VALERATE

US Previously Marketed

First marketed in 1921

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 Search

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

Description
Sources: https://link.springer.com/chapter/10.1007/978-3-642-47350-0_284 | https://link.springer.com/article/10.1007/BF01567705 | https://onlinelibrary.wiley.com/doi/pdf/10.1002/jps.3080021211 | https://www.ndrugs.com/?s=chininum%20valerianicum | http://emedcat.com/drug/chininum-valerianicum-51032

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

Sourcing

Vendor/Aggregator	ID	URL
AK Scientific, Inc. (AKSCI)	6564AF	http://www.aksci.com/item_detail.php?cat=6564AF
Alfa Chemistry	549-66-6	https://www.alfa-chemistry.com/cas_549-66-6.htm
Chemieliva Pharmaceutical Co., Ltd	PBCM1336203
PubChem	76958502	https://pubchem.ncbi.nlm.nih.gov/compound/76958502

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:58:57 GMT 2023` Edited by `admin` on `Sat Dec 16 10:58:57 GMT 2023`
Record UNII	71RQP5VD1S
Record Status	`Validated (UNII)`
Record Version

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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