ALIBENDOL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H17NO4
Molecular Weight	251.2784
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(CC=C)=CC(C(=O)NCCO)=C1O

InChI

InChIKey=UMJHTFHIQDEGKB-UHFFFAOYSA-N

InChI=1S/C13H17NO4/c1-3-4-9-7-10(13(17)14-5-6-15)12(16)11(8-9)18-2/h3,7-8,15-16H,1,4-6H2,2H3,(H,14,17)

HIDE SMILES / InChI

Molecular Formula	C13H17NO4
Molecular Weight	251.2784
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://www.ingentaconnect.com/contentone/ben/cpa/2016/00000012/00000003/art00013
Curator's Comment: The description was created based on several sources, including https://www.drugs.com/international/alibendol.html | http://en.cnki.com.cn/Article_en/CJFDTOTAL-ABJB201206018.htm

Alibendol (2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enyl benzamide) is an antispasmodic, choleretic, and cholekinetic compound, used in the treatment of gastrointestinal disorders in Egypt

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Gastrointestinal disorders 95 Sources: http://en.pharmacodia.com/web/drug/1_11688.html	Primary		Approved 8429	Cebera Approved Use Unknown

PubMed

Title	Date	PubMed
Metal-Free Thermal Activation of Molecular Oxygen Enabled Direct α-CH(2)-Oxygenation of Free Amines.	2018 Jan 5	29182340

Patents

Sample Use Guides

In Vivo Use Guide

single-dose oral administration of 100 mg alibendol

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:28:08 GMT 2023` Edited by `admin` on `Fri Dec 15 15:28:08 GMT 2023`
Record UNII	A8CO1VZK2Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ALIBENDOL

Official Name

English

H 3774

Code

English

ALIBENDOL [MI]

Common Name

English

H-3774

Code

English

ALIBENDOL [MART.]

Common Name

English

5-ALLYL-N-(2-HYDROXYETHYL)-3-METHOXYSALICYLAMIDE

Systematic Name

English

alibendol [INN]

Common Name

English

Alibendol [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66913