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KAD-1229 Calcium Hydrate, TRC

Product Code. 30389654
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100 mg
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Product Code. 30389654 Supplier Toronto Research Chemicals Supplier No. TRCK090000100MG

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Description

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Specifications

Chemical Name or Material KAD-1229 Calcium Hydrate
CAS 207844-01-7
Molecular Formula 2 C19 H24 N O3 . Ca . 2 H2 O
Quantity 100 mg
Synonym 2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt, hydrate (2:1:2), (αS,3aR,7aS)-, 2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt, dihydrate, (αS,3aR,7aS)- (9CI), (S)-2-Benzyl-4-oxo-4-(cis-perhydroisoindol-2-yl)butyric acid calcium salt dihydrate, Mitiglinide calcium dihydrate
InChI Formula 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
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
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 (g/mol) 704.91
Formula Weight 704.335
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