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| CAS No.: | 51529-01-2 |
|---|---|
| Name: | Flupenthixol dihydrochloride |
| Molecular Structure: | |
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|
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| Formula: | C23H25 F3 N2 O S . 2 Cl H |
| Molecular Weight: | 507.44 |
| Synonyms: | 1-Piperazineethanol,4-[(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-,dihydrochloride (9CI); 1-Piperazineethanol,4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-, dihydrochloride,(Z)-; 9H-Thioxanthene, 1-piperazineethanol deriv.; cis-Flupentixolhydrochloride; a-Flupenthixolhydrochloride |
| Melting Point: | 194-202ºC |
| Boiling Point: | 554.7ºC at 760 mmHg |
| Flash Point: | 289.3ºC |
| Hazard Symbols: |
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| Risk Codes: | R20/21/22 |
| Transport Information: | UN 2811 |
| PSA: | 52.01000 |
| LogP: | 6.08150 |
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Chemistry
Molecular Structure of Flupenthixol dihydrochloride (CAS NO.51529-01-2):
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IUPAC Name: 2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol dihydrochloride
Molecular Formula: C23H25F3N2OS.2(HCl)
Molecular Weight: 507.44
H-Bond Donor: 3
H-Bond Acceptor: 6
Flash Point: 289.3 °C
Enthalpy of Vaporization: 87.95 kJ/mol
Boiling Point: 554.7 °C at 760 mmHg
Vapour Pressure: 3.87E-13 mmHg at 25 °C
Appearance: Off-White Solid
Product Categories: Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds
SMILES: Cl.Cl.FC(F)(F)c2cc1C(\c3c(Sc1cc2)cccc3)=C/CCN4CCN(CCO)CC4
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/b18-5-;;
InChIKey: IOVDQEIIMOZNNA-MHKBYHAFBZ
Uses
Flupenthixol dihydrochloride (CAS NO.51529-01-2) is a neuroleptic agent related structurally to thiothixene. It is used as antipsychotic, neuroleptic agent and dopamine receptor antagonist.
Safety Profile
Safety Information of Flupenthixol dihydrochloride (CAS NO.51529-01-2):
Hazard Codes: 
Xn
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37/39
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2811 6.1/PG 3
RTECS: TL9900000
Specification
Flupenthixol dihydrochloride (CAS NO.51529-01-2), its Synonyms are 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, dihydrochloride, (Z)- ; (Z)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol dihydrochloride ; cis-(Z)-Flupenthixol dihydrochloride ; 4-[3-[(3Z)-2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol Hydrochloride ; cis-Flupentixol Hydrochloride ; Metamin ; alpha-Flupenthixol Hydrochloride .