thioridazine – Pu catalyst

Structural formula

Business number	013U
Molecular formula	C21H26N2S2
Molecular weight	370.57
label	thioridazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-methylthio-10H-phenothiazine, thioridazine, Thiopridine, thioetherazine, 10-((1-methyl-2-piperidyl)ethyl)-2-(methylthio)-phenothiazin, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylthio)-10h-phenothiazin, 10-(2-(1-methyl-2-piperidyl)ethyl)-2-(methylthio)-phenothiazin, 10-(2-(1-Methyl-2-piperidyl)ethyl)-2-(methylthio)phenothiazine

Numbering system

CAS number:50-52-2

MDL number:MFCD00242875

EINECS number:200-044-2

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: Crystal.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 72～74℃

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2 kPa) : Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25 ºC): Undetermined

12. Saturated vapor pressure (kPa, 60 ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 112.80

2. Molar volume (cm³/mol): 299.5

3. Isotonic specific volume (90.2K): 829.1

4. Surface Tension (dyne/cm): 58.6

5. Polarizability (10-24cm3): 44.71

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 57.1

7. Number of heavy atoms: 25

8. Surface charge: 0

9. Complexity: 432

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a dry place away from light.

Synthesis method

This product is crystallized from acetone

Purpose

This product has a sedative effect and is used for patients with neurosis, alcohol dependence withdrawal, chorea, mental disorders accompanied by tension, anxiety and somatosensory abnormalities, and schizophrenia patients. It also has obvious anticholinergic effects. The preparation is a tablet.