[3-(2-methoxy-10H-phenothiazin-10-yl)propyl]dimethylamine

• ChemBase ID: 172747
• Molecular Formular: C18H22N2OS
• Molecular Mass: 314.44508
• Monoisotopic Mass: 314.14528433
• SMILES: c1ccc2c(c1)Sc1c(N2CCCN(C)C)cc(cc1)OC
• Canonical SMILES: COc1ccc2c(c1)N(CCCN(C)C)c1c(S2)cccc1
• InChI: InChI=1S/C18H22N2OS/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20/h4-5,7-10,13H,6,11-12H2,1-3H3
• InChIKey: BRABPYPSZVCCLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-methoxy-10H-phenothiazin-10-yl)propyl]dimethylamine
• IUPAC Traditional name: methoxypromazine
• Synonyms: 2-Methoxy-N,N-dimethyl-10H-phenothiazine-10-propanamine; 10-[3-(Dimethylamino)propyl]-2-methoxyphenothiazine; 2-Methoxy-10-(3'-dimethylaminopropyl)phenothiazine; 4632RP; Methopromazine; Methoxypromazine; RP 4632; 2-Methoxy Promazine

Database IDs

• CAS Number: 61-01-8
• PubChem SID: 164228657
• PubChem CID: 18847

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.48596022
• LogD (pH = 7.4): 1.9779251
• Log P: 3.7732842
• Molar Refractivity: 95.4147 cm^3
• Polarizability: 36.639183 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M226200

A Promazine (P756300) derivative as antihistamines.

REFERENCES

• Merville M.P., et al.: J. Biol. Chem., 259, 15069 (1984)