10-{3-[(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]propyl}-10H-phenothiazine

• ChemBase ID: 166542
• Molecular Formular: C19H23N3S
• Molecular Mass: 325.47102
• Monoisotopic Mass: 325.16126875
• SMILES: c1ccc2c(c1)N(c1c(S2)cccc1)CCCN1CCNCC1
• Canonical SMILES: N1CCN(CC1)CCCN1c2ccccc2Sc2c1cccc2
• InChI: InChI=1S/C19H23N3S/c1-3-8-18-16(6-1)22(17-7-2-4-9-19(17)23-18)13-5-12-21-14-10-20-11-15-21/h1-4,6-9,20H,5,10-15H2
• InChIKey: YWSUKAVVJWNXMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-{3-[(2,2,3,3,5,5,6,6-^2H₈)piperazin-1-yl]propyl}-10H-phenothiazine
• IUPAC Traditional name: 10-{3-[(2,2,3,3,5,5,6,6-^2H₈)piperazin-1-yl]propyl}phenothiazine
• Synonyms: 10-[3-(1-Piperazinyl)propyl]-10H-phenothiazine-d8; 10-(3-Piperazinylpropyl)phenothiazine-d8; Demethylperazine-d8; Desmethylperazine-d8; Norperazine-d8; N-Desmethyl Perazine-d8

Database IDs

• PubChem SID: 162260675
• PubChem CID: 71315767

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.21183969
• LogD (pH = 7.4): 1.545443
• Log P: 3.3950272
• Molar Refractivity: 99.7069 cm^3
• Polarizability: 38.62667 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - D292182

A labelled Perazine (P285800) metabolite.

REFERENCES

• Daniel, W., et al.: J. Pharm. Pharmacol., 52, 1473 (2000)
• Daniel, W., et al.: J. Pharm. Pharmacol., 53, 449 (2000)
• El Ela, A., et al.: J. Pharm. Pharmacol., 56, 967 (2000)
• Wojcikowski, J., et al.: Eur. Neuropsychopharmacol., 14, 199 (2000)