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

• ChemBase ID: 179188
• Molecular Formular: C18H22N2S
• Molecular Mass: 298.44568
• Monoisotopic Mass: 298.15036971
• SMILES: c12c(cccc1)Sc1c(N2CC(CN(C)C)C)cccc1
• Canonical SMILES: CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C
• InChI: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
• InChIKey: ZZHLYYDVIOPZBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(^2H₃)methyl[2-methyl-3-(10H-phenothiazin-10-yl)propyl]amine
• IUPAC Traditional name: bis(^2H₃)methyl[2-methyl-3-(phenothiazin-10-yl)propyl]amine
• Synonyms: β-Methyl-(N,N-Dimethyl-d6)-10H-phenothiazine-10-propanamine Tartrate; 10-(2-Methyl-3-(dimethyl-d6)aminopropyl)phenothiazine Tartrate; 10-[3-[(Dimethyl-d6)amino]-2-methylpropyl]phenothiazine Tartrate; (+/-)-Alimemazine-d6 Tartrate; Panectyl-d6; Repeltin-d6; Temaril-d6; Temaril 16-d6; Theralene-d6; Vallergan-d6; Vanectyl-d6; NSC 17475-d6; Trimeprazine-d6 Hemitartrate Salt

Database IDs

• PubChem SID: 164235098
• PubChem CID: 71752810

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0487792
• LogD (pH = 7.4): 2.398943
• Log P: 4.4102793
• Molar Refractivity: 93.3679 cm^3
• Polarizability: 36.0012 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - T795702

A labelled antipruritic. Antibacterial, antimicrobial agent.

REFERENCES

• Robinson, et al.: J. Pharm. Pharmacol., 18, 19 (1966)
• Abdel-Moety, E., et al.: Eur. J. Pharm. Sci., 5, 1 (1966)
• Basavaiah, K., et al.: Chem. Pharm. Bull., 47, 1351 (1966)