10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine

• ChemBase ID: 176362
• Molecular Formular: C20H25N3S
• Molecular Mass: 339.4976
• Monoisotopic Mass: 339.17691882
• SMILES: c1ccc2c(c1)N(c1c(S2)cccc1)CCCN1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cccc2
• InChI: InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3
• InChIKey: WEYVCQFUGFRXOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
• IUPAC Traditional name: perazine
• Synonyms: 10-[3-(4-Methyl-1-piperazinyl)propyl]-10H-phenothiazine Dihydrochloride; 10-[3-(4-Methyl-1-piperazinyl)propyl]phenothiazine Dihydrochloride; 10-[3-(4-Methylpiperazinyl)propyl]phenothiazine Dihydrochloride; NSC 638694; P 725; Perazine Dihydrochloride; Pernazine Dihydrochloride; Psytomin Dihydrochloride; Taxilan Dihydrochloride; Perazine Dihydrochloride

Database IDs

• CAS Number: 5317-37-3
• PubChem SID: 164232272
• PubChem CID: 4744

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.969308
• LogD (pH = 7.4): 2.7331007
• Log P: 3.7780752
• Molar Refractivity: 105.0016 cm^3
• Polarizability: 40.473045 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Off-White to Pale Blue Solid
• Melting Point: 229-231°C

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - P285800

Antipsychotic.

REFERENCES

• Hromatka, et al.: Monatsh. Chem., 88, 56 (1957)
• Franke, U., et al.: J. Pharm. Sci., 88, 89 (1957)
• Hashem, H., et al.: Pharmazie, 60, 186 (1957)