Sumanirole MaleateProduct ingredient for Sumanirole
- Name
- Sumanirole Maleate
- Drug Entry
- Sumanirole
- Accession Number
- DBSALT002019
- Structure
Structure for Sumanirole Maleate (DBSALT002019)
- Synonyms
- Not Available
- UNII
- 2OI87T3R1B
- CAS Number
- 179386-44-8
- Weight
- Average: 319.317
Monoisotopic: 319.116820659 - Chemical Formula
- C15H17N3O5
- InChI Key
- VOJRMYBBPKNLLI-ORHWHDKWSA-N
- InChI
- InChI=1S/C11H13N3O.C4H4O4/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9;5-3(6)1-2-4(7)8/h2-4,8,12H,5-6H2,1H3,(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1-/t8-;/m1./s1
- IUPAC Name
- (10R)-10-(methylamino)-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-one; (2Z)-but-2-enedioic acid
- SMILES
- OC(=O)\C=C/C(O)=O.CN[C@H]1CN2C(=O)NC3=CC=CC(C1)=C23
- External Links
- ChemSpider
- 7994228
- Predicted Properties
Property Value Source Water Solubility 1.25 mg/mL ALOGPS logP 0.53 ALOGPS logP 0.93 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 12.88 Chemaxon pKa (Strongest Basic) 9.11 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 44.37 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 58.81 m3·mol-1 Chemaxon Polarizability 21.78 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 No Chemaxon