Products 207844-01-7

CAS 207844-01-7 appears in our catalog under these names: KAD-1229 Calcium Hydrate, >95% (HPLC), Mitiglinide calcium hydrate, Mitiglinide calcium hydrate 99%, (S)-2-BENZYL-4-OXO-4-(CIS-PERHYDROISOINDOL-2-YL)BUTYRIC ACID CALCIUM SALT DIHYDRATE, 99%, 99%, Mitiglinide (calcium hydrate), 99.87%. Offered by: TRC, TargetMol, Ambeed, Chemat, MedChemExpress. Available pack sizes: 100mg, 10mg, 50mg, 1g, 500mg, 5g, 25g, 100 mg.

Structural formula: {0} (CAS {1})

Calcium;bis((2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate);dihydrate (CAS 207844-01-7) is a chemical compound with the molecular formula C38H52CaN2O8 and a molecular weight of 704.9 g/mol. IUPAC name: calcium;bis((2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate);dihydrate. InChIKey: QEVLNUAVAONTEW-UZYHXJQGSA-L.

Identity
Molecular formulaC38H52CaN2O8
Molecular weight704.9 g/mol
IUPAC namecalcium;bis((2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate);dihydrate
InChIKeyQEVLNUAVAONTEW-UZYHXJQGSA-L
SMILESC1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)[O-].C1CC[C@H]2CN(C[C@H]2C1)C(=O)C[C@H](CC3=CC=CC=C3)C(=O)[O-].O.O.[Ca+2]

Computed by PubChem (NCBI)