10-{3-[bis(2H3)methylamino]-2-methylpropyl}-10H-phenothiazine-2-carbonitrile

• ChemBase ID: 165055
• Molecular Formular: C19H21N3S
• Molecular Mass: 323.45514
• Monoisotopic Mass: 323.14561869
• SMILES: c1ccc2c(c1)N(c1c(S2)ccc(c1)C#N)CC(CN(C)C)C
• Canonical SMILES: N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1
• InChI: InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3
• InChIKey: SLFGIOIONGJGRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-{3-[bis(^2H₃)methylamino]-2-methylpropyl}-10H-phenothiazine-2-carbonitrile
• IUPAC Traditional name: 10-{3-[bis(^2H₃)methylamino]-2-methylpropyl}phenothiazine-2-carbonitrile
• Synonyms: 10-[3-(Dimethylamino-d6)-2-methylpropyl]-10H-phenothiazine-2-carbonitrile; 2-Cyano-10-[(3-dimethylamino-d6)-2-methylpropyl)phenothiazine; Ciamatil-d6; Cianatil-d6; Cyamemazin-d6; Cyamemazine-d6; Cyamepromazine-d6; Cyamepromezine-d6; F. I. 6229-d6; Kyamepromazine-d6; R.P. 7204-d6; TH 2602-d6; Cyamemazine-d6

Database IDs

• CAS Number: 1216608-24-0
• PubChem SID: 162259188
• PubChem CID: 49849604

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.90487546
• LogD (pH = 7.4): 2.2550392
• Log P: 4.2663755
• Molar Refractivity: 99.0895 cm^3
• Polarizability: 37.804035 Å^3
• Polar Surface Area: 30.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - C951502

Labelled Cyamemazine is an anxiolytic antipsychotic, which reduces ethanol withdrawal symptoms.

REFERENCES

• Robinson, et al.: J. Pharm. Pharmacol., 18, 19 (1966)
• Miller, L., et al.: J. Pharmacol. Exp. Ther., 246, 170 (1966)
• Podhorna, J., et al.: Curr. Pharm. Des., 8, 23 (1966)
• Hameg, A., et al.: Biochem. Pharmacol., 65, 435 (1966)