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    Technical details about CAS 459868-73-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 459868-73-6

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 459868-73-6, 5-[(2r)-2-aminopropyl]-2,3-dihydro-1-[3-(phenylmethoxy)propyl]-1h-indole-7-carbonitrile, 5-[(2r)-2-aminopropyl]-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile, 5-((2r)-2-aminopropyl)-2,3-dihydro-1-(3-(phenylmethoxy)propyl)-1h-indole-7-carbonitrile, (r)-5-(2-aminopropyl)-1-(3-benzyloxypropyl)indoline-7-carbonitrile, Schembl12247877
    Molecular Formula
    C22H27N3O
    Molecular Weight
    349.5  g/mol
    InChI Key
    XYFDLYCEXANTHE-QGZVFWFLSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[(2R)-2-aminopropyl]-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile
    2.1.2 InChI
    InChI=1S/C22H27N3O/c1-17(24)12-19-13-20-8-10-25(22(20)21(14-19)15-23)9-5-11-26-16-18-6-3-2-4-7-18/h2-4,6-7,13-14,17H,5,8-12,16,24H2,1H3/t17-/m1/s1
    2.1.3 InChI Key
    XYFDLYCEXANTHE-QGZVFWFLSA-N
    2.1.4 Canonical SMILES
    CC(CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOCC3=CC=CC=C3)N
    2.1.5 Isomeric SMILES
    C[C@H](CC1=CC2=C(C(=C1)C#N)N(CC2)CCCOCC3=CC=CC=C3)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 459868-73-6

    2. 5-[(2r)-2-aminopropyl]-2,3-dihydro-1-[3-(phenylmethoxy)propyl]-1h-indole-7-carbonitrile

    3. 5-[(2r)-2-aminopropyl]-1-(3-phenylmethoxypropyl)-2,3-dihydroindole-7-carbonitrile

    4. 5-((2r)-2-aminopropyl)-2,3-dihydro-1-(3-(phenylmethoxy)propyl)-1h-indole-7-carbonitrile

    5. (r)-5-(2-aminopropyl)-1-(3-benzyloxypropyl)indoline-7-carbonitrile

    6. Schembl12247877

    7. Dtxsid50432615

    8. Zinc34021631

    9. Akos016007588

    10. Ac-23951

    11. 868a736

    12. (r )-5-(2-aminopropyl)-1-(3-benzyloxypropyl) Indoline-7-carbonitrile

    13. (r)-5-(2-aminopropyl)-1-(3-benzyloxypropyl) Indoline-7-carbonitrile

    14. 5-[(2r)-2-aminopropyl]-1-[3-(benzyloxy)propyl]-7-indolinecarbonitrile

    15. 5-[(2r)-2-aminopropyl]-1-[3-(benzyloxy)propyl]-2,3-dihydro-1h-indole-7-carbonitrile

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 349.5 g/mol
    Molecular Formula C22H27N3O
    XLogP33.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass349.215412493 g/mol
    Monoisotopic Mass349.215412493 g/mol
    Topological Polar Surface Area62.3 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity467
    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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