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Pipamperone

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Name

Pipamperone

EINECS N/A
CAS No. 1893-33-0 Density 1.174 g/cm3
PSA 66.64000 LogP 3.17050
Solubility 50 mg/mL in water Melting Point 126°C(lit.)
Formula C21H30FN3O2 Boiling Point 563.717 °C at 760 mmHg
Molecular Weight 375.487 Flash Point 294.726 °C
Transport Information N/A Appearance white powder
Safety Risk Codes 22
Molecular Structure Molecular Structure of 1893-33-0 (PIPAMPERONE DIHYDROCHLORIDE  APPROX. 99) Hazard Symbols HarmfulXn
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;

Article Data 4

Pipamperone 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.

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