Bornaprine hydrochlorideProduct ingredient for Bornaprine
- Name
- Bornaprine hydrochloride
- Drug Entry
- Bornaprine
- Accession Number
- DBSALT003089
- Structure
Structure for Bornaprine hydrochloride (DBSALT003089)
- Synonyms
- Bornaprine HCl
- External IDs
- 248-100-5
- UNII
- R99RGW1B2Q
- CAS Number
- 26908-91-8
- Weight
- Average: 365.94
Monoisotopic: 365.212157 - Chemical Formula
- C21H32ClNO2
- InChI Key
- ODVPRPWQGNOPAY-PWITVKHSSA-N
- InChI
- InChI=1S/C21H31NO2.ClH/c1-3-22(4-2)13-8-14-24-20(23)21(18-9-6-5-7-10-18)16-17-11-12-19(21)15-17;/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3;1H/t17-,19+,21?;/m1./s1
- IUPAC Name
- 3-(diethylamino)propyl (1S,4R)-2-phenylbicyclo[2.2.1]heptane-2-carboxylate hydrochloride
- SMILES
- Cl.CCN(CC)CCCOC(=O)C1(C[C@@H]2CC[C@H]1C2)C1=CC=CC=C1
- External Links
- ChemSpider
- 32700910
- Predicted Properties
Property Value Source Water Solubility 0.00256 mg/mL ALOGPS logP 4.85 ALOGPS logP 4.18 Chemaxon logS -5.1 ALOGPS pKa (Strongest Basic) 10 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 29.54 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 98.29 m3·mol-1 Chemaxon Polarizability 39.32 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon