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Alibendol

Alibendol structure

CAS No:
26750-81-2
Formula:
C13H17NO4
Chemical Name:
Alibendol
Synonyms:
Benzamide,2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propen-1-yl)-;m-Anisamide,5-allyl-2-hydroxy-N-(2-hydroxyethyl)-;Benzamide,2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)-;2-Hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propen-1-yl)benzamide;5-Allyl-2-hydroxy-3-methoxy-N-(β-hydroxyethyl)benzamide;2-Hydroxy-3-methoxy-5-allyl-N-(β-hydroxyethyl)benzamide;Alibendol;FC 54;EB 1856;Cebera;H 3774;2-Hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide
Categories:
Active Pharmaceutical Ingredients > Digestive System Drugs

Description

Alibendol is an antispasmodic,choleretic, and cholekinetic. Target: Othersadministration of alibendol in beagle dogs, observed retention times were approximately 5.0 min for alibendol. The within-run precision showed RSD values between 5.83 and 16.96 %. The between-run RSD values varied from 6.73 to 17.99 % at the LLOQ [1].

Alibendol is a member of salicylamides.

Alibendol Basic Attributes

Molecular Weight：

251.28

Exact Mass：

251.28

EC Number：

247-960-9

UNII：

A8CO1VZK2Z

DSSTox ID：

DTXSID4046490

HScode：

2924299090

Characteristics

PSA：

78.8

XLogP3：

1.8

Appearance：

Crystalline white

Density：

1.2±0.1 g/cm3

Melting Point：

95 °C

Boiling Point：

402.4±45.0°C at 760 mmHg

Flash Point：

197.2±28.7 °C

Refractive Index：

1.564

Storage Conditions：

Refrigerator

Vapor Pressure：

3.37E-07mmHg at 25°C

Toxicity：

LD50 in Swiss male mice (mg/kg): >3000 orally; >2000 s.c.; 209 i.p.; 217 i.v. (Clémence)

Safety Information

RTECS Number：

CU8730000

Alibendol Use and Manufacturing

An amide analog of Eugenol, and is used therapeutically as an antispasmodic. Used for gallbladder and biliary dysfunction, chronic cholecystitis, cholelithiasis, weak stomach, rubella, itching, migraine, constipation and other diseases.

Computed Properties

Molecular Weight:251.28
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:251.11575802
Monoisotopic Mass:251.11575802
Topological Polar Surface Area:78.8
Heavy Atom Count:18
Complexity:282
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethanolamine

Ethyl benzoate

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