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    Technical details about CAS 80875-98-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 80875-98-5

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 80875-98-5, (2s,3as,7as)-2-carboxyoctahydroindole, (2s,3as,7as)-octahydroindole-2-carboxylic acid, L-octahydroindole-2-carboxylic acid, 2-carboxyoctahydroindole, (2s,3as,7as)-, H-oic-oh
    Molecular Formula
    C9H15NO2
    Molecular Weight
    169.22  g/mol
    InChI Key
    CQYBNXGHMBNGCG-FXQIFTODSA-N
    FDA UNII
    9ID44U804I
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1
    2.1.3 InChI Key
    CQYBNXGHMBNGCG-FXQIFTODSA-N
    2.1.4 Canonical SMILES
    C1CCC2C(C1)CC(N2)C(=O)O
    2.1.5 Isomeric SMILES
    C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    9ID44U804I
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Octahydroindole-2-carboxylic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 80875-98-5

    2. (2s,3as,7as)-2-carboxyoctahydroindole

    3. (2s,3as,7as)-octahydroindole-2-carboxylic Acid

    4. L-octahydroindole-2-carboxylic Acid

    5. 2-carboxyoctahydroindole, (2s,3as,7as)-

    6. H-oic-oh

    7. 1h-indole-2-carboxylic Acid, Octahydro-, (2s,3as,7as)-

    8. (2s,3as,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indole-2-carboxylic Acid

    9. (2s,3as,7as)-perhydroindole-2-carboxylic Acid

    10. 2-carboxyoctahydroindole, (2s,3as,7as)-(-)-

    11. 9id44u804i

    12. (2s,3as,7as)octahydro-1h-indole-2-carboxylic Acid

    13. Octahydroindole-2-carboxylic Acid

    14. (2s, 3as, 7as)-2-carboxy Octahydro Indole

    15. (2s,3as,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indol-1-ium-2-carboxylate

    16. L-(2s,3as,7as)-octahydroindole-2-carboxylic Acid

    17. Unii-9id44u804i

    18. Mfcd07782125

    19. Perindopril Impurity A

    20. (2s,3as,7as)-2-carboxyperhydroindole

    21. (2s,3as,7as)-octahydro-indole-2-carboxylic Acid

    22. (s,s,s)-perhydroindolic Acid

    23. Perindopril Related Compound 7

    24. Perindopril Tert-butylamine Specified Impurity A [ep]

    25. Schembl1414979

    26. Dtxsid00230764

    27. Hms1759a13

    28. Act02571

    29. Bcp28533

    30. Cs-b0794

    31. Zinc4899687

    32. Ac7741

    33. Perindopril Related Compound A

    34. 1h-indole-2-carboxylic Acid, Octahydro-, (2s-(2alpha,3abeta,7abeta))-

    35. Akos001215436

    36. Akos005257625

    37. Db03409

    38. (2s,3as,7as)-2-carboxyperhydro Indole

    39. (2s,3as,7as)-2-carboxyocta Hydroindole

    40. Ds-12934

    41. Am20070552

    42. O0370

    43. En300-14049

    44. (2s,3as,7as)octahydroindole-2-carboxylic Acid

    45. Octahydroindole-2-carboxylicacid(2s,3as,7as)

    46. Perindopril Related Compound A [usp-rs]

    47. Ab00979926-01

    48. 875c985

    49. A840000

    50. (2s, 3as,7as)-octahydro-indole-2-carboxylic Acid

    51. (2s,3as,7as)-octahydro-1h-indolium-2-carboxylate

    52. Q-102572

    53. Q-200013

    54. Q27272593

    55. Z169856808

    56. Perindopril Tert-butylamine Impurity A [ep Impurity]

    57. [2s,3abeta,7abeta,(?)]-octahydro-1h-indole-2alpha-carboxylic Acid

    58. Perindopril Impurity A, European Pharmacopoeia (ep) Reference Standard

    59. 1h-indole-2-carboxylic Acid, Octahydro-, (2s-(2.alpha.,3a.beta.,7a.beta.))-

    60. Perindopril Related Compound A, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2006-07-29
    3 Chemical and Physical Properties
    Molecular Weight 169.22 g/mol
    Molecular Formula C9H15NO2
    XLogP3-1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass169.110278721 g/mol
    Monoisotopic Mass169.110278721 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity193
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1