1-methylpiperidin-4-yl 2,2-diphenyl-2-propoxyacetate hydrochloride

• ChemBase ID: 177007
• Molecular Formular: C23H30ClNO3
• Molecular Mass: 403.9422
• Monoisotopic Mass: 403.19142151
• SMILES: C1N(CCC(C1)OC(=O)C(OCCC)(c1ccccc1)c1ccccc1)C.Cl
• Canonical SMILES: CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl
• InChI: InChI=1S/C23H29NO3.ClH/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H
• InChIKey: KFUJMHHNLGCTIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpiperidin-4-yl 2,2-diphenyl-2-propoxyacetate hydrochloride
• IUPAC Traditional name: propiverine hydrochloride hydrochloride
• Synonyms: α-Phenyl-α-propoxybenzeneacetic Acid 1-Methyl-4-piperidinyl Ester Hydrochloride; Diphenylpropoxyacetic acid 1-Methyl-4-piperidyl Ester Hydrochloride; Mictonetten; Mictonorm; P 4; Pollarine; Propiverine Hydrochloride

Database IDs

• CAS Number: 54556-98-8
• PubChem SID: 164232917
• PubChem CID: 441412

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2171654
• LogD (pH = 7.4): 2.9181173
• Log P: 4.252704
• Molar Refractivity: 107.7261 cm^3
• Polarizability: 42.432533 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DMSO; Methanol
• Apperance: White to Off-White Solid
• Melting Point: 215-217°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - P828000

Propiverine is used in treatment of urinary incontinence. Propiverine is an anticholinergic.

REFERENCES

• Yamashita, K., et al.: J. Toxicol. Sci., 14, 1 (1989)
• Haruno, A., et al.: Arzneim.-Forsch., 42, 815 (1989)
• Muller, C., et al.: Eur. Drug. Metab. Pharmacokinet., 18, 265 (1989)
• Mazur, D., et al.: Urologe, A33,447 (1989)