Alibendol has antispasmodic and cholerogenic properties.

Physicochemical Properties

Molecular Formula	C13H17NO4
Molecular Weight	251.2784
Exact Mass	251.115
CAS #	26750-81-2
PubChem CID	71916
Appearance	White to off-white solid powder
Density	1.2±0.1 g/cm3
Boiling Point	402.4±45.0 °C at 760 mmHg
Melting Point	98-101ºC
Flash Point	197.2±28.7 °C
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.564
LogP	1.15
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	18
Complexity	282
Defined Atom Stereocenter Count	0
InChi Key	UMJHTFHIQDEGKB-UHFFFAOYSA-N
InChi Code	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)
Chemical Name	2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References	[1]. Sheng, L., H. Chen, and Y. Li, A HPLC method for determination of nicousamide in dog plasma and its application to pharmacokinetic studies. J Chromatogr B Analyt Technol Biomed Life Sci, 2007. 854(1-2): p. 99-103.
Additional Infomation	Alibendol is a member of salicylamides.

Solubility Data

Solubility (In Vitro)

DMSO : ≥ 100 mg/mL (~397.96 mM) H2O : ~0.91 mg/mL (~3.62 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.95 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.95 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (9.95 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.9796 mL	19.8981 mL	39.7962 mL
	5 mM	0.7959 mL	3.9796 mL	7.9592 mL
	10 mM	0.3980 mL	1.9898 mL	3.9796 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.