CAS 207844-01-7 KAD-1229 Calcium Hydrate - Analytical Products / Alfa Chemistry

CAT	APS207844017
CAS	207844-01-7
Structure
Synonyms	Mitiglinide calcium dihydrate,2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt, hydrate (2:1:2), (αS,3aR,7aS)-, (S)-2-Benzyl-4-oxo-4-(cis-perhydroisoindol-2-yl)butyric acid calcium salt dihydrate, 2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt, dihydrate, (αS,3aR,7aS)- (9CI)
IUPAC Name	calcium;(2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate;dihydrate
Molecular Weight	704.91
Molecular Formula	2C19H24NO3.Ca.2H2O
Canonical SMILES	O.O.[Ca+2].[O-]C(=O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc3ccccc3.[O-]C(=O)[C@H](CC(=O)N4C[C@H]5CCCC[C@H]5C4)Cc6ccccc6
InChI	InChI=1S/2C19H25NO3.Ca.2H2O/c221-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;;;/h21-3,6-7,15-17H,4-5,8-13H2,(H,22,23);;21H2/q;;+2;;/p-2/t215-,16+,17-;;;/m00.../s1