[3-(2-methoxy-10H-phenothiazin-10-yl)-2-methylpropyl](methyl)amine hydrochloride

• ChemBase ID: 175686
• Molecular Formular: C18H23ClN2OS
• Molecular Mass: 350.90602
• Monoisotopic Mass: 350.12196205
• SMILES: c1ccc2c(c1)N(c1c(S2)ccc(c1)OC)CC(CNC)C.Cl
• Canonical SMILES: CNCC(CN1c2ccccc2Sc2c1cc(OC)cc2)C.Cl
• InChI: InChI=1S/C18H22N2OS.ClH/c1-13(11-19-2)12-20-15-6-4-5-7-17(15)22-18-9-8-14(21-3)10-16(18)20;/h4-10,13,19H,11-12H2,1-3H3;1H
• InChIKey: QQSHLCFVEORDPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-methoxy-10H-phenothiazin-10-yl)-2-methylpropyl](methyl)amine hydrochloride
• IUPAC Traditional name: [3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl](methyl)amine hydrochloride
• Synonyms: 2-Methoxy-N,β-dimethyl-10H-phenothiazine-10-propanamine Hydrochloride; rac Normepromazine Hydrochloride

Database IDs

• PubChem SID: 164231596
• PubChem CID: 71751233

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.64428353
• LogD (pH = 7.4): 1.2421187
• Log P: 3.86956
• Molar Refractivity: 94.5364 cm^3
• Polarizability: 36.639164 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: Light Grey Solid

DETAILS

Toronto Research Chemicals - N734605

Levomepromazine metabolite.