U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of ALIBENDOL

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
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

Sources: ZA6803553

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Cebera

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Metal-Free Thermal Activation of Molecular Oxygen Enabled Direct α-CH(2)-Oxygenation of Free Amines.
2018 Jan 5
Patents

Sample Use Guides

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
INN   MART.   MI   WHO-DD  
INN  
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
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
247-960-9
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
INN
3037
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
PUBCHEM
71916
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
EVMPD
SUB05323MIG
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
MERCK INDEX
m1506
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY Merck Index
FDA UNII
A8CO1VZK2Z
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
DRUG CENTRAL
117
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
CAS
26750-81-2
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
RXCUI
236219
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY RxNorm
EPA CompTox
DTXSID4046490
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
NCI_THESAURUS
C74231
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105999
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
SMS_ID
100000087411
Created by admin on Fri Dec 15 15:28:08 GMT 2023 , Edited by admin on Fri Dec 15 15:28:08 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY