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    Chemistry

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    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
    Mitiglinide Calcium
    1 2D Structure

    Mitiglinide Calcium

    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.)

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