Talabostat mesylateProduct ingredient for Talabostat
- Name
- Talabostat mesylate
- Drug Entry
- Talabostat
- Accession Number
- DBSALT001996
- Structure
Structure for Talabostat mesylate (DBSALT001996)
- Synonyms
- Talabostat mesilate
- UNII
- V8ZG4Y1B51
- CAS Number
- 150080-09-4
- Weight
- Average: 310.17
Monoisotopic: 310.136988 - Chemical Formula
- C10H23BN2O6S
- InChI Key
- OXYYOEIGQRXGPI-WSZWBAFRSA-N
- InChI
- InChI=1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1
- IUPAC Name
- [(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
- External Links
- ChemSpider
- 9697235
- ChEMBL
- CHEMBL3545064
- Predicted Properties
Property Value Source Water Solubility 59.2 mg/mL ALOGPS logP -0.3 ALOGPS logP -0.2 Chemaxon logS -0.56 ALOGPS pKa (Strongest Acidic) 8.88 Chemaxon pKa (Strongest Basic) 8.27 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 86.79 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 52.34 m3·mol-1 Chemaxon Polarizability 23.35 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon