Pargeverine hydrochlorideProduct ingredient for Pargeverine
- Name
- Pargeverine hydrochloride
- Drug Entry
- Pargeverine
- Accession Number
- DBSALT003014
- Structure
Structure for Pargeverine hydrochloride (DBSALT003014)
- Synonyms
- Pargeverine HCl / Propinox hydrochloride
- UNII
- XT63P694CJ
- CAS Number
- 2765-97-1
- Weight
- Average: 373.88
Monoisotopic: 373.1444713 - Chemical Formula
- C21H24ClNO3
- InChI Key
- RSBGQTFIHFGTSY-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H23NO3.ClH/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3;/h1,5-14H,15-17H2,2-3H3;1H
- IUPAC Name
- 2-(dimethylamino)ethyl 2,2-diphenyl-2-(prop-2-yn-1-yloxy)acetate hydrochloride
- SMILES
- Cl.CN(C)CCOC(=O)C(OCC#C)(C1=CC=CC=C1)C1=CC=CC=C1
- External Links
- ChemSpider
- 16731
- ChEBI
- 135433
- ChEMBL
- CHEMBL2359025
- ZINC
- ZINC000002019610
- Predicted Properties
Property Value Source Water Solubility 0.0101 mg/mL ALOGPS logP 3.42 ALOGPS logP 3.59 Chemaxon logS -4.5 ALOGPS pKa (Strongest Basic) 8.42 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 38.77 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 98.6 m3·mol-1 Chemaxon Polarizability 37.59 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon