(3-{2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)(2H3)methylamine

• ChemBase ID: 166297
• Molecular Formular: C18H22N2
• Molecular Mass: 266.38068
• Monoisotopic Mass: 266.17829871
• SMILES: N1(c2c(CCc3c1cccc3)cccc2)CCCNC
• Canonical SMILES: CNCCCN1c2ccccc2CCc2c1cccc2
• InChI: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
• InChIKey: HCYAFALTSJYZDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{2-azatricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)(^2H₃)methylamine
• IUPAC Traditional name: (3-{2-azatricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)(^2H₃)methylamine
• Synonyms: 10,11-Dihydro-N-(methyl-d3)-5H-dibenz[b,f]azepine-5-propanamine; G-35020-d3; JB-8181-d3; NSC-114901-d3; Norpramin-d3; Nortimil-d3; Pertofran-d3; Pertofrane-d3; Petylyl-d3; Desipramine-d3

Database IDs

• CAS Number: 65100-49-4
• PubChem SID: 162260430
• PubChem CID: 45038865

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.67586446
• LogD (pH = 7.4): 1.3685079
• Log P: 3.895521
• Molar Refractivity: 85.3109 cm^3
• Polarizability: 32.823364 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Clear Colorless Oil

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - D290053

Labelled tricyclic antidepressant that is a more potent inhibitor of the norepinephrine transporter than the serotonin transporter.

REFERENCES

• Klerman, G.L., et al.: Pharmacol. Rev., 17, 101 (1965)
• Checkley, S.A, et al.: Br. J. Psychiatry, 138. 248 (1965)
• Zhu, M.Y., et al.: J. Neurochem., 70, 1547 (1965)
• Okugawa, G., et al.: J. Neuroindocrinol., 11, 887 (1965)
• Torres, G.E., et al.: Nat. Rev.