Tofogliflozin hydrateProduct ingredient for Tofogliflozin
- Name
- Tofogliflozin hydrate
- Drug Entry
- Tofogliflozin
Tofogliflozin has been used in trials studying the treatment and prevention of Diabetes Mellitus Type 2.
- Accession Number
- DBSALT002509
- Structure
Structure for Tofogliflozin hydrate (DBSALT002509)
- Synonyms
- Tofogliflozin
- UNII
- P8DD8KX4O4
- CAS Number
- 1201913-82-7
- Weight
- Average: 404.459
Monoisotopic: 404.183503242 - Chemical Formula
- C22H28O7
- InChI Key
- ZXOCGDDVNPDRIW-NHFZGCSJSA-N
- InChI
- InChI=1S/C22H26O6.H2O/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22;/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3;1H2/t18-,19-,20+,21-,22+;/m1./s1
- IUPAC Name
- (1S,3'R,4'S,5'S,6'R)-6-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)-3H-spiro[2-benzofuran-1,2'-oxane]-3',4',5'-triol hydrate
- SMILES
- O.[H][C@]1(CO)O[C@]2(OCC3=C2C=C(CC2=CC=C(CC)C=C2)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
- External Links
- ChemSpider
- 28527871
- ChEMBL
- CHEMBL2105711
- Predicted Properties
Property Value Source Water Solubility 0.327 mg/mL ALOGPS logP 1.5 ALOGPS logP 2.47 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 12 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 99.38 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 103.33 m3·mol-1 Chemaxon Polarizability 41.15 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon