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

• ChemBase ID: 131678
• Molecular Formular: C19H23ClN2
• Molecular Mass: 314.85232
• Monoisotopic Mass: 314.15497643
• SMILES: Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1.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-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine hydrochloride
• IUPAC Traditional name: triprolidine hydrochloride
• Synonyms: (E)-2-[3-(1-Pyrrolidinyl)-1-p-tolylpropenyl]pyridine hydrochloride; trans-2-[3-(1-Pyrrolidinyl)-1-p-tolylpropenyl]pyridine hydrochloride; Triprolidine hydrochloride; 2-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]pyridine Hydrochloride; 295C51; Actidil; Actidilat; Actidilon; Pro-Actidil; Pro-Entra; Venen; trans-1-(4-Methylphenyl)-1-(2-pyridyl)-3-pyrrolidinoprop-1-ene Hydrochloride; trans-2-[3-(1-Pyrrolidinyl)-1-(p-tolyl)propenyl]pyridine Hydrochloride; Triprolidine Hydrochloride

Database IDs

• CAS Number: 550-70-9; 6138-79-0
• MDL Number: MFCD00039044
• PubChem SID: 162225955; 24277808
• PubChem CID: 5702129

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

PROPERTIES

Safety Information

• RTECS: UT7658000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... HRH1(3269)

Product Information

• Purity: ≥99%
• Grade: Sigma Reference Standard
• Packaging: vial of 500 mg

DETAILS

Sigma Aldrich - T6764

Biochem/physiol Actions
H1 histamine receptor antagonist.

Sigma Aldrich - T1427

Biochem/physiol Actions
H1 histamine receptor antagonist.
包装
Supplied in amber screw-cap vials

Toronto Research Chemicals - T814000

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 flu-like symptoms.

REFERENCES

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