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