Mitiglinide calcium
Properties
- Molecular formula
- C38H48CaN2O6
- Molar mass
- 668.89 g/mol
- Exact mass
- 668.3138 Da
- Melting point
- 175–183 °C
- logP
- 2.59Crippen estimate
- Polar surface area
- 57.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 5
- Stereocentres
- S, R, S, S, R, Sin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
145525-41-3SMILES
[O-]C(=O)[C@H](CC(=O)N1C[C@@H]2CCCC[C@@H]2C1)Cc1ccccc1.[O-]C(=O)[C@H](CC(=O)N1C[C@@H]2CCCC[C@@H]2C1)Cc1ccccc1.[Ca+2]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt (2:1), (αS,3aR,7aS)-
- 2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt, [2(S)-cis]-
- 2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt, (αS,3aR,7aS)-
- KAD 1229
- S 21403
- (S)-2-Benzyl-4-oxo-4-(cis-perhydroisoindol-2-yl)butyric acid calcium salt
- Glufast
Work with Mitiglinide calcium
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2-Benzylcyclohexanone946-33-842 % similar
2-Benzylcyclopentanone2867-63-240 % similar
5-Oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid5733-86-840 % similar
Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate51535-00-338 % similar
Calcium 2-ethylhexanoate136-51-634 % similar
Loxoprofen sodium80382-23-633 % similar
Benzylsuccinic acid36092-42-933 % similar
(2S)-2-(Phenylmethyl)butanedioic acid3972-36-933 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.