EPICINCHONINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H22N2O
Molecular Weight	294.3908
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=KMPWYEUPVWOPIM-YXUGBTPSSA-N

InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18+,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H22N2O
Molecular Weight	294.3908
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12840830 | https://www.ncbi.nlm.nih.gov/pubmed/10644163 | https://www.ncbi.nlm.nih.gov/pubmed/1545349

Epicinchonine is a 9-epimer of cinchonine. it is Cinchona alkaloids quinine. Cinchonine is antimalarial. Its 9-epimer, Epicinchonine, is practically inactive.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Molecular properties of Cinchona alkaloids: a theoretical approach.	1992 Feb	1545349
Conformation of epicinchonine and cinchonine in view of their antimalarial activity: x-ray and theoretical studies.	1999	10644163
Conformational spaces of Cinchona alkaloids.	2003 Aug	12840830
Crystal and molecular structures of new enantiopure quinuclidines.	2004 Mar	14770415

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:40:50 GMT 2023` Edited by `admin` on `Fri Dec 15 16:40:50 GMT 2023`
Record UNII	35VE0JQR6N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPICINCHONINE

Common Name

English

CINCHONAN-9-OL, (9R)

Common Name

English

9-EPICINCHONINE

Common Name

English

9-EPI-CINCHONINE

Common Name

English

CINCHONINE EPICINCHONINE [MI]

Common Name

English

CINCHONINE EPICINCHONINE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00859217