Mitiglinide calcium dihydrateProduct ingredient for Mitiglinide
- Name
- Mitiglinide calcium dihydrate
- Drug Entry
- Mitiglinide
Mitiglinide is a drug for the treatment of type 2 diabetes. It may stimulate insulin secretion in beta-cells by closing off ATP dependant potassium ion channels.
- Accession Number
- DBSALT001868
- Structure
Structure for Mitiglinide calcium dihydrate (DBSALT001868)
- Synonyms
- Mitiglinide calcium hydrate / Mitiglinide calcium salt dihydrate
- External IDs
- KAD-1229 / S-21403
- UNII
- 9651C21W3Z
- CAS Number
- 207844-01-7
- Weight
- Average: 704.918
Monoisotopic: 704.3349575 - Chemical Formula
- C38H52CaN2O8
- InChI Key
- QEVLNUAVAONTEW-UZYHXJQGSA-L
- InChI
- InChI=1S/2C19H25NO3.Ca.2H2O/c2*21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;;;/h2*1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);;2*1H2/q;;+2;;/p-2/t2*15-,16+,17-;;;/m00.../s1
- IUPAC Name
- calcium bis((2S)-4-[(3aR,7aS)-octahydro-1H-isoindol-2-yl]-2-benzyl-4-oxobutanoate) dihydrate
- SMILES
- O.O.[Ca++].[H][C@@](CC(=O)N1C[C@@]2([H])CCCC[C@@]2([H])C1)(CC1=CC=CC=C1)C([O-])=O.[H][C@@](CC(=O)N1C[C@@]2([H])CCCC[C@@]2([H])C1)(CC1=CC=CC=C1)C([O-])=O
- External Links
- ChemSpider
- 5293442
- ChEMBL
- CHEMBL1603301
- Predicted Properties
Property Value Source Water Solubility 0.000407 mg/mL ALOGPS logP 6.16 ALOGPS logP 2.92 Chemaxon logS -6.2 ALOGPS pKa (Strongest Acidic) 4.62 Chemaxon pKa (Strongest Basic) -0.83 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 60.44 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 99.14 m3·mol-1 Chemaxon Polarizability 34.33 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon