{3-[(4,6,13,15-2H4)-2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]propyl}dimethylamine hydrochloride

• ChemBase ID: 171574
• Molecular Formular: C19H25ClN2
• Molecular Mass: 316.8682
• Monoisotopic Mass: 316.17062649
• SMILES: c12N(c3c(CCc1cccc2)cccc3)CCCN(C)C.Cl
• Canonical SMILES: CN(CCCN1c2ccccc2CCc2c1cccc2)C.Cl
• InChI: InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H
• InChIKey: XZZXIYZZBJDEEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(4,6,13,15-^2H₄)-2-azatricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]propyl}dimethylamine hydrochloride
• IUPAC Traditional name: {3-[(4,6,13,15-^2H₄)-2-azatricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]propyl}dimethylamine hydrochloride
• Synonyms: 10,11-Dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine-d4 Hydrochloride; Chrytemin-d4; Imiprin-d4; G-22355-d4; Tofranil-d4; Imipramine-2,4,6,8-d4 Hydrochloride

Database IDs

• CAS Number: 61361-33-9
• PubChem SID: 164227484
• PubChem CID: 45039559

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9912437
• LogD (pH = 7.4): 2.4832094
• Log P: 4.2785687
• Molar Refractivity: 90.6056 cm^3
• Polarizability: 34.690376 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Water
• Apperance: White Solid
• Melting Point: 174-175°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - I465982

Tricyclic antidepressant; inhibits the serotonin and norepinephrine transporters. Has little effect on the dopamine transporter.

REFERENCES

• Wood, M.D., et al.: Neuropharmacology, 26, 1081 (1987)
• Casis, O., et al.: J. Cardiovasc. Pharmacol., 32, 521 (1987)
• Linner, L., et al.: Biol. Psychiatry, 46, 766 (1987)
• Teschemacher, et al.: Br. J. Pharmacol., 128, 479 (1987)