CAS No.633-59-0,4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]piperazine-1-ethanol dihydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	633-59-0
Name:	4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]piperazine-1-ethanol dihydrochloride

Formula:	C22H25 Cl N2 O S . 2 Cl H
Molecular Weight:	473.92
Synonyms:	1-Piperazineethanol,4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-, dihydrochloride (9CI);1-Piperazineethanol, 4-[3-(2-chlorothioxanthen-9-ylidene)propyl]-,dihydrochloride (7CI,8CI); 9H-Thioxanthene, 1-piperazineethanol deriv.; AY62021; Ciatyl; Clopenthixol dihydrochloride; N 746; Sordenac; a-Clopenthixol dihydrochloride
Melting Point:	250-260° (dec)
Safety:	Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of SO_x, NO_x, and Cl⁻.
PSA:	52.01000
LogP:	4.91410

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Chemistry

IUPAC Name: 2-[4-[(3Z)-3-(2-Chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol dihydrochloride
Following is the structure of Chlorperphenthixene dihydrochloride (CAS NO.633-59-0):

Empirical Formula: C₂₂H₂₇Cl₃N₂OS
Molecular Weight: 473.8866 g/mol
EINECS: 211-194-3
Flash Point: 328.2 °C
Enthalpy of Vaporization: 96.48 kJ/mol
Boiling Point: 619.1 °C at 760 mmHg
Vapour Pressure of Chlorperphenthixene dihydrochloride (CAS NO.633-59-0): 3.48E-16 mmHg at 25 °C
Canonical SMILES: C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl
Isomeric SMILES: C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl
InChI: InChI=1S/C22H25ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H/b18-5-;;
InChIKey: LPWNZMIBFHMYMX-MHKBYHAFSA-N

Toxicity Data With Reference

1.	orl-rat LD50:660 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,67.
2.	ipr-rat LD50:105 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,67.
3.	ivn-rat LD50:125 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,67.
4.	orl-mus LD50:560 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,67.
5.	ipr-mus LD50:222 mg/kg	27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,67.
6.	ivn-mus LD50:111 mg/kg	USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3996211 .

Safety Profile

Poison by intraperitoneal and intravenous routes. Moderately is toxic by ingestion. When heated to decomposition, Chlorperphenthixene dihydrochloride (CAS NO.633-59-0) emits very toxic fumes of SO_x, NO_x, and Cl⁻.

Specification

Chlorperphenthixene dihydrochloride , its cas register number is 633-59-0. It also can be called 4-(3-(2-Chlorothioxanthen-9-ylidene)propyl)-1-piperazineethanol dihydrochloride ; Chlorpenthixol dihydrochloride ; Chlorperphenthixene dihydrochloride ; Ciatyl dihydrochloride ; Clopenthixol HCl ; Clopenthixol dihydrochloride ; Sordenac ; and Sordinol . Its classification code is Drug / Therapeutic Agent.