CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 202-210 °C @ 0.6 mm Hg |
| Melting Point | Cream-colored, fine powder from absolute alcohol; MP: 242-243 °C; pH of 5% aq soln= 2.2, Hygroscopic /Dihydrochloride/ |
| Solubility | 12.2 mg/L (at 24 °C) |
| LogP | 5.03 |
| LogS | -4.52 |
| Stability/Shelf Life | In aqueous solution, trifluoperazine HCl is readily oxidized by atmospheric oxygen. /Trifluoperazine HCl/ |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen fluoride/, nitroxides, and sulfoxides. |
| Dissociation Constants | pKa1= 3.9; pKa2= 8.1 /Dihydrochloride/ |
| Collision Cross Section | 188.1 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2688 2666 2662 2662 2641 2685 2691 2683 2684.6 2661.8 2710 2683 2650 2695 2683 2704.5 2682 2707 2685 2685 2677.1 |
| Other Experimental Properties | PRACTICALLY ODORLESS & HAS BITTER TASTE; MELTS @ ABOUT 242 °C WITH DECOMP WHITE TO PALE-YELLOW, CRYSTALLINE POWDER /HYDROCHLORIDE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 407.5 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 407.16430344 g/mol |
| Monoisotopic Mass | 407.16430344 g/mol |
| Topological Polar Surface Area | 35 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 510 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Trifluoperazine is a member of the class of phenothiazines that is phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position. It has a role as a dopaminergic antagonist, an antiemetic, an EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor, an EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor, a calmodulin antagonist and a phenothiazine antipsychotic drug. It is a N-alkylpiperazine, a N-methylpiperazine, a member of phenothiazines and an organofluorine compound.