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    Chemistry

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    Also known as: 4784-40-1, N,n,beta-trimethyl-10h-phenothiazine-10-propylamine 5,5-dioxide monohydrochloride, 6bok44g9k6, 3-(5,5-dioxophenothiazin-10-yl)-n,n,2-trimethylpropan-1-amine;hydrochloride, N,n,beta-trimethyl-10h-phenothiazine-10-propylamine5,5-dioxidemonohydrochloride, Einecs 225-330-4
    Molecular Formula
    C18H23ClN2O2S
    Molecular Weight
    366.9  g/mol
    InChI Key
    NPMMOYKGIWLASW-UHFFFAOYSA-N
    FDA UNII
    6BOK44G9K6
    Oxomemazine Hydrochloride
    1 2D Structure

    Oxomemazine Hydrochloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C18H22N2O2S.ClH/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20;/h4-11,14H,12-13H2,1-3H3;1H
    2.1.3 InChI Key
    NPMMOYKGIWLASW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)CN(C)C.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    6BOK44G9K6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4784-40-1

    2. N,n,beta-trimethyl-10h-phenothiazine-10-propylamine 5,5-dioxide Monohydrochloride

    3. 6bok44g9k6

    4. 3-(5,5-dioxophenothiazin-10-yl)-n,n,2-trimethylpropan-1-amine;hydrochloride

    5. N,n,beta-trimethyl-10h-phenothiazine-10-propylamine5,5-dioxidemonohydrochloride

    6. Einecs 225-330-4

    7. Ncgc00182075-03

    8. Unii-6bok44g9k6

    9. Oxomemazine Hcl

    10. Dsstox_cid_28538

    11. Dsstox_rid_82810

    12. Dsstox_gsid_48612

    13. Schembl4420096

    14. Chembl3187201

    15. Dtxsid2048612

    16. Tox21_112947

    17. Oxomemazine Hydrochloride [who-dd]

    18. Cas-4784-40-1

    19. Q27264452

    20. 10h-phenothiazine-10-propanamine, N,n,.beta.-trimethyl-, 5,5-dioxide, Hydrochloride (1:1)

    21. 10h-phenothiazine-10-propanamine, N,n,.beta.-trimethyl-, 5,5-dioxide, Monohydrochloride

    22. 13718-11-1

    23. Phenothiazine, 10-(3-(dimethylamino)-2-methylpropyl)-, 5,5-dioxide, Monohydrochloride

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 366.9 g/mol
    Molecular Formula C18H23ClN2O2S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass366.1168768 g/mol
    Monoisotopic Mass366.1168768 g/mol
    Topological Polar Surface Area49 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity470
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    28-Apr-2021
    07-Aug-2024
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