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2D Structure
Also known as: 145525-41-3, Kad-1229, 207844-01-7, Kad 1229, Kad-1229 calcium hydrate, P5wor98g68
Molecular Formula
C38H48CaN2O6
Molecular Weight
668.9  g/mol
InChI Key
PMRVFZXOCRHXFE-FMEJWYFOSA-L
FDA UNII
P5WOR98G68

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;(2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate
2.1.2 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
2.1.3 InChI Key
PMRVFZXOCRHXFE-FMEJWYFOSA-L
2.1.4 Canonical SMILES
C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-].C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-].[Ca+2]
2.1.5 Isomeric SMILES
C1CC[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-].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
P5WOR98G68
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-benzyl-3-(hexahydro-2-isoindolinylcarbonyl)propionate

2. Calcium 2-benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionate Dihydrate

3. Kad 1229

4. Kad-1229

5. Miti-glinide

6. Mitiglinide

7. S21403

2.3.2 Depositor-Supplied Synonyms

1. 145525-41-3

2. Kad-1229

3. 207844-01-7

4. Kad 1229

5. Kad-1229 Calcium Hydrate

6. P5wor98g68

7. 2h-isoindole-2-butanoic Acid, Octahydro-gamma-oxo-alpha-(phenylmethyl)-, Calcium Salt, Hydrate (2:1:2), (alphas,3ar,7as)-

8. Calcium;(2s)-4-[(3as,7ar)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate

9. Kad-1229 Calcium Salt

10. Unii-p5wor98g68

11. 2-benzyl-3-(hexahydro-2-isoindolinylcarbonyl)propionate

12. S21403

13. Calcium 2-benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionate Dihydrate

14. S 21403

15. 2h-isoindole-2-butanoic Acid, Octahydro-gamma-oxo-alpha-(phenylmethyl)-, Calcium Salt, (2(s)-cis)-

16. Schembl1649332

17. Chebi:31740

18. Dtxsid90872410

19. Anhydrous Mitiglinide Calcium

20. Mitiglinide Calcium Anhydrous

21. Mfcd09955408

22. Mitiglinide Calcium [who-dd]

23. Akos015950796

24. Am84417

25. Mitiglinide Calcium Salt Anhydrous

26. As-80674

27. Calcium (s)-2-benzyl-4-((3ar,7as)-octahydro-2h-isoindol-2-yl)-4-oxobutanoate

28. M3177

29. Mitiglinide Calcium Salt Anhydrous [mi]

30. J-008096

31. Q27286263

32. (s)-2-benzyl-4-oxo-4-(cis-perhydroisoindol-2-yl)butyric Acid Calcium Salt

33. Calcium Bis((2s)-4-[(3ar,7as)-octahydro-1h-isoindol-2-yl]-2-benzyl-4-oxobutanoate)

34. 2h-isoindole-2-butanoic Acid, Octahydro-.gamma.-oxo-.alpha.-(phenylmethyl)-, Calcium Salt (2:1), (.alpha.s,3ar,7as)-

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 668.9 g/mol
Molecular Formula C38H48CaN2O6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass668.3138281 g/mol
Monoisotopic Mass668.3138281 g/mol
Topological Polar Surface Area121 Ų
Heavy Atom Count47
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Hypoglycemic Agents

Substances which lower blood glucose levels. (See all compounds classified as Hypoglycemic Agents.)