50-52-2
Product Name:
Thioridazine
Formula:
C21H26N2S2
Synonyms:
10-[2-(1-Methyl-2-piperidinyl)ethyl]-2-(methylthio)-10H-phenothiazine
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals from acetone |
| Odor | Faint |
| Taste | Very bitter |
| Boiling Point | 230 °C at 2.00E-02 mm Hg |
| Melting Point | 73 °C |
| Solubility | 0.0336 mg/L |
| LogP | 5.9 |
| Stability/Shelf Life | STABLE IN MODERATE HEAT ... , DARKENS ON EXPOSURE TO LIGHT /THIORIDAZINE HYDROCHLORIDE/ |
| Dissociation Constants | 9.5 |
| Collision Cross Section | 184.9 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 3114 3094 3105 3117 3117 3080 3100 3116 3120 3114 3125 3125.4 3128.8 3092.9 3105 3125 3080 3100 3135 3114 3104.5 3070 3104 3089 |
| Other Experimental Properties | White to slightly yellow, granular powder; freely soluble in chloroform; slightly soluble in benzene /Thioridazine hydrochloride/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 370.6 g/mol |
|---|---|
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 370.15374118 g/mol |
| Monoisotopic Mass | 370.15374118 g/mol |
| Topological Polar Surface Area | 57.1 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 432 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Thioridazine is a phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position. It has a role as a serotonergic antagonist, a H1-receptor antagonist, an alpha-adrenergic antagonist, a dopaminergic antagonist, a first generation antipsychotic, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor and an EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor. It is a member of phenothiazines and a member of piperidines. It contains a methylsulfanyl group.