Basic Information | Post buying leads | Suppliers |
Molecule structure of 4'-Fluoro-4-(4-methylpiperidino)-butyrophenone hydrochloride (CAS NO.1622-79-3) :
IUPAC Name: 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-ium-1-yl)butan-1-one chloride
Molecular Weight: 299.811323 g/mol
Molecular Formula: C16H23ClFNO
Boiling Point: 376.1 °C at 760 mmHg
Flash Point: 181.3 °C
Enthalpy of Vaporization: 62.37 kJ/mol
Vapour Pressure: 7.42E-06 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Tautomer Count: 2
Exact Mass: 299.14522
MonoIsotopic Mass: 299.14522
Topological Polar Surface Area: 21.5
Heavy Atom Count: 20
Complexity: 279
Canonical SMILES: CC1CC[NH+](CC1)CCCC(=O)C2=CC=C(C=C2)F.[Cl-]
InChI: InChI=1S/C16H22FNO.ClH/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14;/h4-7,13H,2-3,8-12H2,1H3;1H
InChIKey: MQHYXXIJLKFQGY-UHFFFAOYSA-N
EINECS of 4'-Fluoro-4-(4-methylpiperidino)-butyrophenone hydrochloride (CAS NO.1622-79-3) : 216-599-9
1. | orl-rat LD50:330 mg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 23 (1965),109. | ||
2. | scu-rat LD50:220 mg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 23 (1965),109. | ||
3. | ivn-rat LD50:40 mg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 23 (1965),109. | ||
4. | orl-mus LD50:230 mg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 23 (1965),109. | ||
5. | scu-mus LD50:230 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,191. | ||
6. | ivn-mus LD50:35 mg/kg | APTOA6 Acta Pharmacologica et Toxicologica. 23 (1965),109. |
Poison by ingestion, subcutaneous, and intravenous routes. Experimental teratogenic effects. A neuroleptic drug used to treat anxiety and confusion. When heated to decomposition it emits very toxic fumes of F−, NOx, and HCl.
4'-Fluoro-4-(4-methylpiperidino)-butyrophenone hydrochloride (CAS NO.1622-79-3) is also called 1-Butanone, 1-(4-fluorophenyl)-4-(4-methyl-1-piperidinyl)-, hydrochloride ; Buronil ; Eunerpan ; FG 5111 ; Melperone HCl ; Melperone hydrochloride ; Methylperone chloride ; Methylperone hydrochloride ; gamma-(4-Methylpiperidine)-p-fluorobutyrophenone hydrochloride .