CAS No.1893-33-0,PIPAMPERONE DIHYDROCHLORIDE APPROX. 99 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1893-33-0
Name:	PIPAMPERONE DIHYDROCHLORIDE APPROX. 99
Article Data:	4

Formula:	C₂₁H₃₀FN₃O₂
Molecular Weight:	375.487
Synonyms:	[1,4'-Bipiperidine]-4'-carboxamide,1'-[3-(p-fluorobenzoyl)propyl]- (7CI,8CI);1-(p-Fluorophenyl)-4-(4-piperidino-4-carbamoylpiperidino)-1-butanone;1'-[3-(p-Fluorobenzoyl)propyl][1,4'-bipiperidine]-4'-carboxamide;4'-Fluoro-4-[4-N-piperidino-4-carbamidopiperidino]butyrophenone;4'-Fluoro-4-{N-[4-(N-piperidino)-4-carbamido]piperidino}butyrophenone;Dipiperal;Dipiperon;Dipiperone;Floropipamide;
Density:	1.174 g/cm³
Melting Point:	126°C(lit.)
Boiling Point:	563.717 °C at 760 mmHg
Flash Point:	294.726 °C
Solubility:	50 mg/mL in water
Appearance:	white powder
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	66.64000
LogP:	3.17050

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Specification

The Pipamperone, with the CAS registry number 1893-33-0, is also known as 1'-[4-(4-Fluorophenyl)-4-oxobutyl]-1,4'-bipiperidine-4'-carboxamide. It belongs to the classification codes of Antipsychotic; Antipsychotic Agents; Central Nervous System Agents; Central Nervous System Depressants; Drug / Therapeutic Agent; Neurotransmitter Agents; Psychotropic Drugs; Reproductive Effect; Serotonin Agents; Serotonin Antagonists; Tranquilizing Agents. Its EINECS registry number is . This chemical's molecular formula is C₂₁H₃₀FN₃O₂ and molecular weight is 375.48. What's more, its IUPAC name is called 1-[4-(4-Fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide. Pipamperone is an antipsychotic drug (a butyrophenone derivative) used in the treatment of schizophrenia. When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it is harmful if swallowed.

Physical properties about Pipamperone are: (1)ACD/LogP: 2.465; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): 1.62; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 6.34; (7)ACD/KOC (pH 5.5): 1.27; (8)ACD/KOC (pH 7.4): 75.31; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 66.64 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 102.859 cm³; (15)Molar Volume: 319.745 cm³; (16)Polarizability: 40.777×10^-24cm³; (17)Surface Tension: 48.108 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 294.726 °C; (20)Enthalpy of Vaporization: 84.713 kJ/mol; (21)Boiling Point: 563.717 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)C(=O)CCCN3CCC(C(=O)N)(N2CCCCC2)CC3
(2) InChI: InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)
(3) InChIKey: AXKPFOAXAHJUAG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	subcutaneous	> 10mg/kg (10mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 932, 1961.
dog	LD50	subcutaneous	> 40mg/kg (40mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 932, 1961.
monkey	LD50	subcutaneous	> 20mg/kg (20mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 932, 1961.
mouse	LD50	intravenous	66mg/kg (66mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 188, 1972.
mouse	LD50	oral	490mg/kg (490mg/kg)	BEHAVIORAL: TOXIC PSYCHOSIS	Pharmacology: International Journal of Experimental and Clinical Pharmacology. Vol. 15, Pg. 485, 1977.
mouse	LD50	subcutaneous	160mg/kg (160mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 188, 1972.
rat	LD50	intravenous	48mg/kg (48mg/kg)		"Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 188, 1972.
rat	LD50	oral	160mg/kg (160mg/kg)		Acta Neurologia et Psychiatrica Belgica. Vol. 61, Pg. 611, 1961.
rat	LD50	subcutaneous	160mg/kg (160mg/kg)		Acta Neurologia et Psychiatrica Belgica. Vol. 61, Pg. 611, 1961.