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    CAS 147008-88-6 manufacturers and suppliers on PharmaCompass

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    CAS 147008-88-6

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    CAS 147008-88-6
    Also known as: L1bw3q7dkq, (r)-n-demethylfrovatriptan, Frovatriptan related compound a, Frovatriptan related compound a [usp-rs], 147008-88-6, (+)-3-amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole
    Molecular Formula
    C13H15N3O
    Molecular Weight
    229.28  g/mol
    InChI Key
    PMQBOSGFSARWCB-MRVPVSSYSA-N
    FDA UNII
    L1BW3Q7DKQ
    1 2D Structure

    CAS 147008-88-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R)-6-amino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
    2.1.2 InChI
    InChI=1S/C13H15N3O/c14-8-2-4-12-10(6-8)9-5-7(13(15)17)1-3-11(9)16-12/h1,3,5,8,16H,2,4,6,14H2,(H2,15,17)/t8-/m1/s1
    2.1.3 InChI Key
    PMQBOSGFSARWCB-MRVPVSSYSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(CC1N)C3=C(N2)C=CC(=C3)C(=O)N
    2.1.5 Isomeric SMILES
    C1CC2=C(C[C@@H]1N)C3=C(N2)C=CC(=C3)C(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    L1BW3Q7DKQ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. L1bw3q7dkq

    2. (r)-n-demethylfrovatriptan

    3. Frovatriptan Related Compound A

    4. Frovatriptan Related Compound A [usp-rs]

    5. 147008-88-6

    6. (+)-3-amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole

    7. (r)-3-amino-6-carboxamido-1,2,3,4-tetrahydrocarbazole

    8. (3r)-3-amino-2,3,4,9-tetrahydro-1h-carbazole-6-carboxamide

    9. 1h-carbazole-6-carboxamide, 3-amino-2,3,4,9-tetrahydro-, (3r)-

    10. Desmethyl Frovatriptan

    11. Unii-l1bw3q7dkq

    12. Schembl13152879

    13. Zinc3789853

    14. Frovatriptan Metabolite, Desmethyl Frovatriptan

    2.4 Create Date
    2009-05-30
    3 Chemical and Physical Properties
    Molecular Weight 229.28 g/mol
    Molecular Formula C13H15N3O
    XLogP30.7
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass229.121512110 g/mol
    Monoisotopic Mass229.121512110 g/mol
    Topological Polar Surface Area84.9 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity320
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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