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    CAS 119812-29-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 119812-29-2, 3-((dimethylamino)methyl)-9-methyl-2,3-dihydro-1h-carbazol-4(9h)-one hydrochloride, 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1h-carbazol-4-one;hydrochloride, 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazol-4-one hcl, 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazole-4-one hcl, (3rs)-3-(dimethylamino)methyl-9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one hydrochloride
    Molecular Formula
    C16H21ClN2O
    Molecular Weight
    292.80  g/mol
    InChI Key
    GFQLILQFQHMEPF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C16H20N2O.ClH/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3;/h4-7,11H,8-10H2,1-3H3;1H
    2.1.3 InChI Key
    GFQLILQFQHMEPF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN(C)C.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 119812-29-2

    2. 3-((dimethylamino)methyl)-9-methyl-2,3-dihydro-1h-carbazol-4(9h)-one Hydrochloride

    3. 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1h-carbazol-4-one;hydrochloride

    4. 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazol-4-one Hcl

    5. 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazole-4-one Hcl

    6. (3rs)-3-(dimethylamino)methyl-9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one Hydrochloride

    7. 3-((dimethylamino)methyl)-1,2,3,9-tetrahydro-9-methyl-4h-carbazol-4-one Hydrochloride

    8. Ec 601-635-1

    9. Schembl5202651

    10. Dtxsid40621031

    11. Mfcd00800231

    12. Akos015912143

    13. 4h-carbazol-4-one, 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-, Hydrochloride (1:1)

    14. Cs-0442335

    15. 614d707

    16. A804362

    17. 3-((dimethylamino)methyl)-9-methyl-2,3-dihydro-1h-carbazol-4(9h)-one Hcl

    18. 3-((dimethylamino)methyl)-9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one Hydrochloride

    19. 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazole-4-one Hydrochloride

    20. 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1h-carbazol-4-one Hydrochloride

    21. Ondansetron Related Compound A, United States Pharmacopeia (usp) Reference Standard

    22. 3-[(dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one Hydrochloride, Pharmaceutical Impurity Standard

    23. 3-[(dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 292.80 g/mol
    Molecular Formula C16H21ClN2O
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass292.1342410 g/mol
    Monoisotopic Mass292.1342410 g/mol
    Topological Polar Surface Area25.2 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity355
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2