bis(2H3)methyl[3-(10H-phenothiazin-10-yl)propyl]amine hydrochloride

• ChemBase ID: 176973
• Molecular Formular: C17H21ClN2S
• Molecular Mass: 320.88004
• Monoisotopic Mass: 320.11139736
• SMILES: c1ccc2c(c1)Sc1c(N2CCCN(C)C)cccc1.Cl
• Canonical SMILES: CN(CCCN1c2ccccc2Sc2c1cccc2)C.Cl
• InChI: InChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H
• InChIKey: JIVSXRLRGOICGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(^2H₃)methyl[3-(10H-phenothiazin-10-yl)propyl]amine hydrochloride
• IUPAC Traditional name: bis(^2H₃)methyl[3-(phenothiazin-10-yl)propyl]amine hydrochloride
• Synonyms: N,N-(Dimethyl-d6)-10H-phenothiazine-10-propanamine Hydrochloride; 10-[γ-(Dimethyl-d6)amino-n-propyl]phenothiazine Hydrochloride; Esparinal-d6; Liranol-d6; Prolactyl-d6; Promwill-d6; Propazin-d6; Propazine-d6; Sparine-d6; Talofen-d6; Promazine-d6 Hydrochloride

Database IDs

• PubChem SID: 164232883
• PubChem CID: 71751803

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6436315
• LogD (pH = 7.4): 2.1355963
• Log P: 3.9309556
• Molar Refractivity: 88.9515 cm^3
• Polarizability: 34.1545 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P756302

Labelled Promazine (P756300). Antipsychotic. Tranquilizer.

REFERENCES

• Banci, L., et al.: Biochemistry, 38, 3205 (1999)
• Lawal, O., et al.: Food Chemi., 87, 205 (1999)
• Shleev, S., et al.: Bioorg. Chem., 35, 35 (1999)