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Basic Information
CAS No.: 605-75-4
Name: TRIFLUOPERAZINE DIMALEATE
Molecular Structure:
Molecular Structure of 605-75-4 (TRIFLUOPERAZINE DIMALEATE)
Formula: C21H24F3N3S•2C4H4O4
Molecular Weight: 639.70
Synonyms: TRIFLUOPERAZINE DIMALEATE;TRIFLUOPERAZINE DIMALEATE SALT;10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazinmale;Trifluoperazine maleate (JAN)
Boiling Point: 506°C at 760 mmHg
Flash Point: 259.8°C
Safety: Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of F−, SOx, and NOx.
PSA: 184.22000
LogP: 3.39630
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Chemistry

Empirical Formula of Trifluoperazine dimaleate (CAS NO.605-75-4): C29H32F3N3O8S
Molecular Weight: 639.6399 g/mol
Flash Point: 259.8 °C
Enthalpy of Vaporization: 77.58 kJ/mol
Boiling Point: 506 °C at 760 mmHg
Vapour Pressure: 2.32E-10 mmHg at 25 °C
Structure of Trifluoperazine dimaleate (CAS NO.605-75-4):
                      
IUPAC Name: (Z)-But-2-enedioic acid;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
Canonical SMILES: CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
Isomeric SMILES: CN1CCN(CC1)CCCN2C3=C(SC4=CC=CC=C24)C=CC(=C3)C(F)(F)F.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C21H24F3N3S.2C4H4O4/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;2*5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKey: WTMXVVQBBRYSLL-SPIKMXEPSA-N

Toxicity Data With Reference

1.    

orl-mus LD50:1150 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),524.
2.    

ivn-mus LD50:30 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),524.
3.    

ivn-dog LD50:50 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),524.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition Trifluoperazine dimaleate (CAS NO.605-75-4) emits toxic fumes of F−, SOx, and NOx.

Specification

 Trifluoperazine dimaleate , its cas register number is 605-75-4. It also can be called Trifluoperazine ; and Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-, maleate (1:2) .