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    Technical details about CAS 79617-89-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 79617-89-3

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    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 79617-89-3, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenamine hydrochloride, 4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride, 329009-20-3, Mfcd00895772, Schembl3695433
    Molecular Formula
    C17H18Cl3N
    Molecular Weight
    342.7  g/mol
    InChI Key
    BLFQGGGGFNSJKA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H
    2.1.3 InChI Key
    BLFQGGGGFNSJKA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 79617-89-3

    2. 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenamine Hydrochloride

    3. 4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride

    4. 329009-20-3

    5. Mfcd00895772

    6. Schembl3695433

    7. Chembl1415862

    8. Akos015900976

    9. Ab07662

    10. Ncgc00095151-01

    11. Ncgc00095151-02

    12. Sy032692

    13. Cs-0301414

    14. Ft-0641726

    15. Ft-0674566

    16. Ft-0674567

    17. Ft-0700687

    18. Ft-0768987

    19. A839724

    20. F0001-2405

    21. 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenaminehydrochloride

    22. 4-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-aminehydrochloride

    23. ( Inverted Exclamation Marka)-sertraline Hydrochloride,1r,4r)-rel-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenamine Hydrochloride

    24. (1s,4s)-4-(3,4-dichlorophenyl)-1-(methylamino)-1,2,3,4-tetrahydronaphthalene Hydrochloride

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 342.7 g/mol
    Molecular Formula C17H18Cl3N
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area12
    Heavy Atom Count21
    Formal Charge0
    Complexity322
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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