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    Also known as: 74163-81-8, L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, L-porretine, H-tic-oh, (s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid
    Molecular Formula
    C10H11NO2
    Molecular Weight
    177.20  g/mol
    InChI Key
    BWKMGYQJPOAASG-VIFPVBQESA-N
    FDA UNII
    737G46U1NP
    1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid
    1 2D Structure

    1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
    2.1.3 InChI Key
    BWKMGYQJPOAASG-VIFPVBQESA-N
    2.1.4 Canonical SMILES
    C1C(NCC2=CC=CC=C21)C(=O)O
    2.1.5 Isomeric SMILES
    C1[C@H](NCC2=CC=CC=C21)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    737G46U1NP
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 74163-81-8

    2. L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

    3. (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

    4. L-porretine

    5. H-tic-oh

    6. (s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid

    7. (s)-(-)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

    8. (3s)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic Acid

    9. S-(-)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

    10. 3-isoquinolinecarboxylic Acid, 1,2,3,4-tetrahydro-, (3s)-

    11. 737g46u1np

    12. 1,2,3,4-tetrahydroisoquinoline-3(s)-carboxylic Acid

    13. (-)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

    14. (s)-1,2,3,4-tetrahydro-3-isoquinoline-carboxylic Acid

    15. 1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid, (s)-

    16. (s)-(-)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid

    17. Mfcd00144533

    18. L-tic

    19. Unii-737g46u1np

    20. H-l-tic-oh

    21. (r)-(+)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

    22. Schembl288272

    23. S-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid

    24. Chembl447576

    25. Act01929

    26. Cs-d1187

    27. Str03867

    28. Zinc3881715

    29. Akos016842273

    30. Ts-02454

    31. A9522

    32. Am20060719

    33. J1119

    34. T1515

    35. 163t818

    36. J-650310

    37. L-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid

    38. Q-103215

    39. 1,2,3,4-tetrahydro-3(s)-isoquinolinecarboxylic Acid

    40. 1,2,3,4-tetrahydroisoquinoline-(3s)-carboxylic Acid

    41. Q27266148

    42. S-1,2,3,4-tetrahydro-3-isoquinoline Carboxylic Acid

    43. (3s)-1,2,3,4-tetrahydro-3-isoquinolinecarbocylic Acid

    44. (3s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid

    45. L-(3s)1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid

    46. Quinapril Hydrochloride Impurity A [ep Impurity]

    47. Z1696862396

    48. (s)-(-)-1,2,3,4-tetrahydro-3-isoquindinecarboxylic Acid

    49. (s)-(-)-1,2,3,4-tetrahydro-3-isoquinoline-carboxylic Acid

    50. (s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid, 97%

    51. 1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid, (-)-

    52. 1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid, (3s)-

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 177.20 g/mol
    Molecular Formula C10H11NO2
    XLogP3-1.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass177.078978594 g/mol
    Monoisotopic Mass177.078978594 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity205
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    09-Mar-2021
    08-May-2021
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