2-[(1E)-1-(4-methylphenyl)-3-[(2H8)pyrrolidin-1-yl]prop-1-en-1-yl]pyridine hydrochloride

• ChemBase ID: 179016
• Molecular Formular: C19H23ClN2
• Molecular Mass: 314.85232
• Monoisotopic Mass: 314.15497643
• SMILES: c1cccc(n1)/C(=C/CN1CCCC1)/c1ccc(cc1)C.Cl
• Canonical SMILES: Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1.Cl
• InChI: InChI=1S/C19H22N2.ClH/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;/h2-3,6-12H,4-5,13-15H2,1H3;1H/b18-11+
• InChIKey: WYUYEJNGHIOFOC-NWBUNABESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1E)-1-(4-methylphenyl)-3-[(^2H₈)pyrrolidin-1-yl]prop-1-en-1-yl]pyridine hydrochloride
• IUPAC Traditional name: 2-[(1E)-1-(4-methylphenyl)-3-[(^2H₈)pyrrolidin-1-yl]prop-1-en-1-yl]pyridine hydrochloride
• Synonyms: 2-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl-d8)-1-propen-1-yl]pyridine Hydrochloride; 295C51-d8; Actidil-d8; Actidilat-d8; Actidilon-d8; Pro-Actidil-d8; Pro-Entra-d8; Venen-d8; trans-1-(4-Methylphenyl)-1-(2-pyridyl)-3-(pyrrolidino-d8)prop-1-ene Hydrochloride; trans-2-[3-(1-Pyrrolidinyl-d8)-1-(p-tolyl)propenyl]pyridine Hydrochloride; Triprolidine-d8 Hydrochloride

Database IDs

• PubChem SID: 164234926
• PubChem CID: 71752736

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0643152
• LogD (pH = 7.4): 2.7876499
• Log P: 4.0451536
• Molar Refractivity: 98.5253 cm^3
• Polarizability: 34.387333 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - T814002

Labelled Triprolidine. Triprolidine is an antihistaminic agent with anticholinergic properties. Triprolidine is used to treat and prevent symptoms associated with allergies. Triprolidine is also used in combination with cold medicine to provide relief for

REFERENCES

• Bye, C. et al.: Br. J. Clin. Pharmacol., 1, 342 (1974)
• Fantozzi, R. et al.: Br. J. Pharmacol., 53, 569 (1974)