[3-(2-chloro-10H-phenothiazin-10-yl)propyl](13C,2H3)methylmethylamine hydrochloride

• ChemBase ID: 164704
• Molecular Formular: C17H20Cl2N2S
• Molecular Mass: 356.31775484
• Monoisotopic Mass: 355.07577985
• SMILES: c1cccc2c1N(c1c(S2)ccc(c1)Cl)CCCN(C)[13CH3].Cl
• Canonical SMILES: [13CH3]N(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C.Cl
• InChI: InChI=1S/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H/i1+1
• InChIKey: FBSMERQALIEGJT-YTBWXGASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2-chloro-10H-phenothiazin-10-yl)propyl](^1^3C,^2H₃)methylmethylamine hydrochloride
• IUPAC Traditional name: [3-(2-chlorophenothiazin-10-yl)propyl](^1^3C,^2H₃)methylmethylamine hydrochloride
• Synonyms: 2-Chloro-N,N-(dimethyl-13C,d3)-10H-phenothiazine-10-propanamine Hydrochloride; 2-Chloro-10-[3-(dimethylamino-13C,d3)propyl]phenothiazine Hydrochloride; Klorproman-13C,d3; Marazine-13C,d3; Norcozine-13C,d3; Torazina-13C,d3; Tranzene-13C,d3; Chlorpromazine-13C,d3 Hydrochloride

Database IDs

• PubChem SID: 162258839
• PubChem CID: 71314836

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2476761
• LogD (pH = 7.4): 2.739641
• Log P: 4.5350003
• Molar Refractivity: 93.7563 cm^3
• Polarizability: 35.9708 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White Solid
• Melting Point: 193-195°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - C424753

Labelled Chlorpromazine (C424750). Used as an antiemetic; antipsychotic.

REFERENCES

• Anden, N.-E., et al.: Eur. J. Pharmacol., 11, 303 (1970)
• Curzon, G., et al.: Trends Pharmacol. Sci., 11, 61 (1970)