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Alibendol

CAT: 0013-GTR19162443-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162443-02Size:500 mg
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Description
Alibendol is an antispasmodic, choleretic, and cholekinetic.
CAS Number
26750-81-2
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
Ethanol: 50 mg/mL (198.98 mM) ; DMSO: 50 mg/mL (198.98 mM)
Smiles
COC1=C (O) C (=CC (CC=C) =C1) C (=O) NCCO
Molecular Formula
C13H17NO4
Molecular Weight
251.28
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Alibendol

Alibendol is a member of salicylamides.

CAS Number26750-81-2
PubChem CID71916
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide
Molecular FormulaC13H17NO4
Molecular Weight251.28
XLogP1.8
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity282
SMILES
COC1=CC(=CC(=C1O)C(=O)NCCO)CC=C
InChI
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)
InChIKey
UMJHTFHIQDEGKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alibendol
CAS: 26750-81-2
CID: 71916
Formula: C13H17NO4
MW: 251.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.28
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass251.11575802
Monoisotopic Mass251.11575802
Topological Polar Surface Area78.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1881-50Alibendol
A11676-5000Alibendol 5g
A11676-1000Alibendol 1g

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