Home Other Building Blocks 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, hydrate (2:1:2), (αS,3aR,7aS)-

CAS No.:
207844-01-7
Catalog Number:
AG002JB3
Molecular Formula:
C38H48CaN2O6
Molecular Weight:
668.8755
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
98%
In Stock USA
United States
$54
- +
100mg
98%
In Stock USA
United States
$82
- +
250mg
98%
In Stock USA
United States
$144
- +
1g
98%
In Stock USA
United States
$353
- +
Product Description
Catalog Number:
AG002JB3
Chemical Name:
2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt, hydrate (2:1:2), (αS,3aR,7aS)-
CAS Number:
207844-01-7
Molecular Formula:
C38H48CaN2O6
Molecular Weight:
668.8755
MDL Number:
MFCD09955408
IUPAC Name:
calcium;(2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate
InChI:
InChI=1S/2C19H25NO3.Ca/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);/q;;+2/p-2/t2*15-,16+,17-;/m00./s1
InChI Key:
PMRVFZXOCRHXFE-FMEJWYFOSA-L
SMILES:
O=C(N1C[C@@H]2[C@H](C1)CCCC2)C[C@@H](C(=O)[O-])Cc1ccccc1.O=C(N1C[C@@H]2[C@H](C1)CCCC2)C[C@@H](C(=O)[O-])Cc1ccccc1.[Ca+2]
UNII:
P5WOR98G68
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
668.314g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
668.888g/mol
Monoisotopic Mass:
668.314g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
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Effect of KAD-1229, a novel hypoglycaemic agent, on plasma glucose levels after meal load in type 2 diabetic rats. Clinical and experimental pharmacology & physiology 20020101
Study of the insulinotropic effect of the novel antihyperglycemic agent KAD-1229 using HIT T15 cells, a hamster's insulinoma cell line. Arzneimittel-Forschung 20020101
Absence of exacerbation of myocardial stunning in anesthetized dogs treated with KAD-1229, a novel hypoglycemic agent. European journal of pharmacology 20011123
The effects of mitiglinide (KAD-1229), a new anti-diabetic drug, on ATP-sensitive K+ channels and insulin secretion: comparison with the sulfonylureas and nateglinide. European journal of pharmacology 20011109
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Properties