Azasetron BesylateProduct ingredient for Azasetron
- Name
- Azasetron Besylate
- Drug Entry
- Azasetron
- Accession Number
- DBSALT003297
- Structure
Structure for Azasetron Besylate (DBSALT003297)
- Synonyms
- (R)-AZASETRON BESYLATE / 2H-1,4-BENZOXAZINE-8-CARBOXAMIDE, N-(3R)-1-AZABICYCLO(2.2.2)OCT-3-YL-6-CHLORO-3,4-DIHYDRO-4-METHYL-3-OXO-, BENZENESULFONATE (1:1) / R-AZASETRON BESYLATE
- UNII
- UXP39EQ477
- CAS Number
- 2025360-91-0
- Weight
- Average: 507.99
Monoisotopic: 507.1230844 - Chemical Formula
- C23H26ClN3O6S
- InChI Key
- GFVBDLIBPSGFDL-ZOWNYOTGSA-N
- InChI
- InChI=1S/C17H20ClN3O3.C6H6O3S/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21;7-10(8,9)6-4-2-1-3-5-6/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23);1-5H,(H,7,8,9)/t13-;/m0./s1
- IUPAC Name
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide; benzenesulfonic acid
- SMILES
- OS(=O)(=O)C1=CC=CC=C1.CN1C(=O)COC2=C(C=C(Cl)C=C12)C(=O)N[C@H]1CN2CCC1CC2
- External Links
- ChemSpider
- 64854685
- Predicted Properties
Property Value Source logP 0.67 Chemaxon pKa (Strongest Acidic) 13.51 Chemaxon pKa (Strongest Basic) 8.3 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 61.88 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 90.69 m3·mol-1 Chemaxon Polarizability 35.92 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon