[3-(2-methoxy-10H-phenothiazin-10-yl)-2-methylpropyl]bis(2H3)methylamine hydrochloride

• ChemBase ID: 172867
• Molecular Formular: C19H25ClN2OS
• Molecular Mass: 364.9326
• Monoisotopic Mass: 364.13761211
• SMILES: c1ccc2c(c1)N(c1c(S2)ccc(c1)OC)CC(CN(C)C)C.Cl
• Canonical SMILES: COc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1.Cl
• InChI: InChI=1S/C19H24N2OS.ClH/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;/h5-11,14H,12-13H2,1-4H3;1H
• InChIKey: ODLGFPIWRAEFAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-methoxy-10H-phenothiazin-10-yl)-2-methylpropyl]bis(^2H₃)methylamine hydrochloride
• IUPAC Traditional name: [3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl]bis(^2H₃)methylamine hydrochloride
• Synonyms: 2-Methoxy-N,N,β-trimethyl-10H-phenothiazine-10-propanamine-d6 Hydrochloride; 10-[3-(Dimethylamino)-2-methylpropyl]-2-methoxyphenothiazine-d6 MonoHydrochloride; 2-Methoxytrimeprazine-d6 Hydrochloride; 2-Methoxytrimeprazine-d6; rac Methotrimeprazine-d6 Hydrochloride

Database IDs

• PubChem SID: 164228777
• PubChem CID: 46782143

CALCULATED PROPERTIES

• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.89110804
• LogD (pH = 7.4): 2.2412717
• Log P: 4.252608
• Molar Refractivity: 99.8311 cm^3
• Polarizability: 38.484814 Å^3

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Light Brown Solid

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: Hygroscopic

DETAILS

Toronto Research Chemicals - M260787

Analgesic.

REFERENCES

• Viaud, et al.: J. Pharm. and Pharmacol., 6, 361 (1954)