Pipenzolate bromideProduct ingredient for Pipenzolate
- Name
- Pipenzolate bromide
- Drug Entry
- Pipenzolate
- Accession Number
- DBSALT003008
- Structure
Structure for Pipenzolate bromide (DBSALT003008)
- Synonyms
- Bromuro de pipenzolato / Pipenzolate bromide / Pipenzolati bromidum
- UNII
- JPX41DUS2B
- CAS Number
- 125-51-9
- Weight
- Average: 434.374
Monoisotopic: 433.125257 - Chemical Formula
- C22H28BrNO3
- InChI Key
- XEDCWWFPZMHXCM-UHFFFAOYSA-M
- InChI
- InChI=1S/C22H28NO3.BrH/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19;/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3;1H/q+1;/p-1
- IUPAC Name
- 1-ethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methylpiperidin-1-ium bromide
- SMILES
- [Br-].CC[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
- External Links
- ChemSpider
- 571430
- ChEMBL
- CHEMBL1401367
- Wikipedia
- Pipenzolate_bromide
- Predicted Properties
Property Value Source Water Solubility 0.000326 mg/mL ALOGPS logP 0.08 ALOGPS logP -0.62 Chemaxon logS -6.1 ALOGPS pKa (Strongest Acidic) 11.05 Chemaxon pKa (Strongest Basic) -4.5 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.53 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 114.14 m3·mol-1 Chemaxon Polarizability 39.03 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon