CAS No.52468-60-7,Flunarizine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52468-60-7
Name:	Flunarizine
Article Data:	9

Formula:	C₂₆H₂₆F₂N₂
Molecular Weight:	404.503
Synonyms:	(E)-1-[Bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)piperazine;Sibelium;
EINECS:	257-937-5
Density:	1.17 g/cm³
Boiling Point:	511.3 °C at 760 mmHg
Flash Point:	263 °C
PSA:	6.48000
LogP:	5.26100

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Specification

The cas register number of Flunarizine is 52468-60-7. It also can be called as (E)-1-[Bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)piperazine and the IUPAC Name about this chemical is 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine. Classification Code about this chemical are Anticonvulsants, Calcium channel blockers, Cardiovascular Agents, Central Nervous System Agents, Drug / Therapeutic Agent, Histamine Agents, Histamine Antagonists, Histamine H1 antagonists, Human Data, Membrane Transport Modulators, Neurotransmitter Agents and Vasodilator agents.

Physical properties about Flunarizine are: (1)ACD/LogP: 4.74 ; (2)ACD/LogD (pH 5.5): 3.62; (3)ACD/LogD (pH 7.4): 4.67; (4)ACD/BCF (pH 5.5): 177.43; (5)ACD/BCF (pH 7.4): 2023.7; (6)ACD/KOC (pH 5.5): 681.19; (7)ACD/KOC (pH 7.4): 7769.51; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 6.48 Å²; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 119.28 cm³; (13)Molar Volume: 345.5 cm³; (14)Polarizability: 47.28x10^-24cm³; (15)Surface Tension: 45 dyne/cm; (16)Enthalpy of Vaporization: 78.23 kJ/mol; (17)Vapour Pressure: 1.43E-10 mmHg at 25°C.

Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(c2ccc(F)cc2)N3CCN(CC3)CC=Cc4ccccc4
(2)InChI: InChI=1/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2
(3)InChIKey: SMANXXCATUTDDT-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2
(5)Std. InChIKey: SMANXXCATUTDDT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	4286ug/kg/30D (4.286mg/kg)	BEHAVIORAL: TREMOR	Neurology. Vol. 37, Pg. 881, 1987.
mouse	LD50	oral	960mg/kg (960mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 37, Pg. 1103, 1987.
women	TDLo	oral	18mg/kg/90D-I (18mg/kg)	BEHAVIORAL: TREMOR	Neurology. Vol. 37, Pg. 881, 1987.
women	TDLo	oral	73mg/kg/1Y-I (73mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR	Italian Journal of Neurological Sciences. Vol. 10, Pg. 89, 1989.