ALLOYOHIMBINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H26N2O3
Molecular Weight	354.4427
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@H]1[C@@H](O)CC[C@@H]2CN3CCC4=C(NC5=C4C=CC=C5)[C@@H]3C[C@H]12

InChI

InChIKey=BLGXFZZNTVWLAY-FJDMERLMSA-N

InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H26N2O3
Molecular Weight	354.4427
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://www.sciencedirect.com/science/bookseries/18760813/7 | https://www.ncbi.nlm.nih.gov/pubmed/6299443

Alloyohimbine is an alkaloid, a stereoisomer of yohimbine extracted from Rauvolfia serpentina. Alloyohimbine is a selective antagonist of alpha2-adrenoreceptor.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Adrenergic receptor alpha-2 114 Target ID: CHEMBL2095158 Sources: https://www.ncbi.nlm.nih.gov/pubmed/6299443	Antagonist 2849		6.0 nM [Kd]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
Binding of yohimbine stereoisomers to alpha-adrenoceptors in rat liver and human platelets.	1983-02	6299443

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

To study the binding of alloyohimbine to alpha2-adrenoreceptors from human platelets, tritiated yohimbine (7 nM) was used as a radioligand and was titrated with 10-4 - 10-9 M of the drug.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:36:15 GMT 2025` Edited by `admin` on `Mon Mar 31 23:36:15 GMT 2025`
Record UNII	60AHA8MSG9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLO-YOHIMBINE

Preferred Name

English

ALLOYOHIMBINE

Common Name

English

ALLO-YOHIMBINE [MI]

Common Name

English

YOHIMBAN-16-CARBOXYLIC ACID, 17-HYDROXY-, METHYL ESTER, (16.ALPHA.,17.ALPHA.,20.ALPHA.)-

Systematic Name

English

ALLOYOHIMBIN

Common Name

English

Code System Code Type Description

MERCK INDEX

m11572