KAD-1229 Calcium Hydrate
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- structure.search.product.name KAD-1229 Calcium Hydrate
- Product Code: TRC-K090000
- CAS Number: 207844-01-7
- Brand: TRC
Product Overview
Product Code
TRC-K090000
CAS Number
Product Format
Neat
Molecular Formula
2 C19 H24 N O3 . Ca . 2 H2 O
Molecular Weight
704.91
API Family
MitiglinideProduct Categories
Product Type
APIAlternate CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
KAD-1229 Calcium Hydrate
CAS Number
207844-01-7
Molecular Formula
2 C19 H24 N O3 . Ca . 2 H2 O
Molecular Weight
704.91
Accurate Mass
704.335
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/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
calcium;(2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate;dihydrate
Alternate CAS Number
Free base: 145375-43-5
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API
Product Format
Neat
API Family
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