Fupentixol dihydrochloride

The IUPAC name of Fupentixol dihydrochloride is 2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol dihydrochloride. With the CAS registry number 2413-38-9, it is also named as 1-Piperazineethanol, 4-(3-(2-trifluoromethylthioxanth-9-ylidene)propyl)-, dihydrochloride. The product's category is Antipsychotic. Besides, it is white or off-white solid, which is soluble in water. This chemical is a thioxanthene neuroleptic. It is used in the treatment of psychoses although not in excited or manic patients. In addition, its molecular formula is C₂₃H₂₅F₃N₂OS^.2(HCl) and molecular weight is 507.44.

The other characteristics of Fupentixol dihydrochloride can be summarized as: (1)EINECS: 219-321-4; (2)ACD/LogP: 4.51; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.25; (5)ACD/LogD (pH 7.4): 4.42; (6)ACD/BCF (pH 5.5): 86.74; (7)ACD/BCF (pH 7.4): 1293.8; (8)ACD/KOC (pH 5.5): 372.43; (9)ACD/KOC (pH 7.4): 5555.31; (10)#H bond acceptors: 3; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 6; (13)Polar Surface Area: 41.01 Å²; (14)Flash Point: 289.3 °C; (15)Enthalpy of Vaporization: 87.95 kJ/mol; (16)Boiling Point: 554.7 °C at 760 mmHg; (17)Vapour Pressure: 3.87E-13 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed. You should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.Cl.FC(F)(F)c2cc1C(c3c(Sc1cc2)cccc3)=CCCN4CCN(CCO)CC4
(2)InChI: InChI=1/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*1H
(3)InChIKey: IOVDQEIIMOZNNA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*1H
(5)Std. InChIKey: IOVDQEIIMOZNNA-UHFFFAOYSA-N

The toxicity data is as follows: