Rasagiline tartrateProduct ingredient for Rasagiline
- Name
- Rasagiline tartrate
- Drug Entry
- Rasagiline
Rasagiline is an irreversible inhibitor of monoamine oxidase and is used as a monotherapy in early Parkinson's disease or as an adjunct therapy in more advanced cases.
- Accession Number
- DBSALT002987
- Structure
Structure for Rasagiline tartrate (DBSALT002987)
- Synonyms
- Rasagiline hemitartrate
- UNII
- B9A329CN07
- CAS Number
- 136236-52-7
- Weight
- Average: 492.572
Monoisotopic: 492.226036758 - Chemical Formula
- C28H32N2O6
- InChI Key
- YGKHOZXCTLKSLJ-KHAGDFGNSA-N
- InChI
- InChI=1S/2C12H13N.C4H6O6/c2*1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;5-1(3(7)8)2(6)4(9)10/h2*1,3-6,12-13H,7-9H2;1-2,5-6H,(H,7,8)(H,9,10)/t2*12-;1-,2-/m111/s1
- IUPAC Name
- bis((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine); (2R,3R)-2,3-dihydroxybutanedioic acid
- SMILES
- O[C@H]([C@@H](O)C(O)=O)C(O)=O.C#CCN[C@@H]1CCC2=CC=CC=C12.C#CCN[C@@H]1CCC2=CC=CC=C12
- External Links
- ChemSpider
- 32699183
- Predicted Properties
Property Value Source Water Solubility 0.0249 mg/mL ALOGPS logP 2.26 ALOGPS logP 2.3 Chemaxon logS -3.8 ALOGPS pKa (Strongest Basic) 8.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 12.03 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 54.47 m3·mol-1 Chemaxon Polarizability 20.25 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon