Diperodon hydrochlorideProduct ingredient for Diperodon
- Name
- Diperodon hydrochloride
- Drug Entry
- Diperodon
- Accession Number
- DBSALT001677
- Structure
Structure for Diperodon hydrochloride (DBSALT001677)
- Synonyms
- Diperodon HCl
- UNII
- 5YZ5R8I73Y
- CAS Number
- 537-12-2
- Weight
- Average: 433.93
Monoisotopic: 433.1768341 - Chemical Formula
- C22H28ClN3O4
- InChI Key
- OWULVAZDMWJBLB-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H27N3O4.ClH/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19;/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27);1H
- IUPAC Name
- 2-[(phenylcarbamoyl)oxy]-3-(piperidin-1-yl)propyl N-phenylcarbamate hydrochloride
- SMILES
- Cl.[H]N(C(=O)OCC(CN1CCCCC1)OC(=O)N([H])C1=CC=CC=C1)C1=CC=CC=C1
- External Links
- ChemSpider
- 10373
- ChEMBL
- CHEMBL1456312
- Predicted Properties
Property Value Source Water Solubility 0.0876 mg/mL ALOGPS logP 3.58 ALOGPS logP 4.42 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 12.73 Chemaxon pKa (Strongest Basic) 8.25 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 79.9 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 112.95 m3·mol-1 Chemaxon Polarizability 42.35 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