Pipethanate ethobromideProduct ingredient for Pipethanate
- Name
- Pipethanate ethobromide
- Drug Entry
- Pipethanate
- Accession Number
- DBSALT003043
- Structure
Structure for Pipethanate ethobromide (DBSALT003043)
- Synonyms
- 2-(1-Piperidino)ethyl benzilate ethobromide / Pipethanate ethobromide / Pipethanate ethylbromide
- External IDs
- PB-106
- UNII
- ZA38L5WD1K
- CAS Number
- 23182-46-9
- Weight
- Average: 448.401
Monoisotopic: 447.140907 - Chemical Formula
- C23H30BrNO3
- InChI Key
- VPUGSHLBERYQGC-UHFFFAOYSA-M
- InChI
- InChI=1S/C23H30NO3.BrH/c1-2-24(16-10-5-11-17-24)18-19-27-22(25)23(26,20-12-6-3-7-13-20)21-14-8-4-9-15-21;/h3-4,6-9,12-15,26H,2,5,10-11,16-19H2,1H3;1H/q+1;/p-1
- IUPAC Name
- 1-ethyl-1-{2-[(2-hydroxy-2,2-diphenylacetyl)oxy]ethyl}piperidin-1-ium bromide
- SMILES
- [Br-].CC[N+]1(CCOC(=O)C(O)(C2=CC=CC=C2)C2=CC=CC=C2)CCCCC1
- External Links
- ChemSpider
- 147036
- ChEMBL
- CHEMBL1909073
- Predicted Properties
Property Value Source Water Solubility 0.000117 mg/mL ALOGPS logP 1.49 ALOGPS logP -0.23 Chemaxon logS -6.6 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 8 Chemaxon Refractivity 119.07 m3·mol-1 Chemaxon Polarizability 41.37 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon