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    Chemistry

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    Also known as: 7081-40-5, 3-((9h-thioxanthen-9-yl)methyl)-1-methylpiperidine hydrochloride hydrate, Methixene hcl, Metixene hydrochloride hydrate, Methixene hydrochloride hydrete, Methixene hydrochloride [usan]
    Molecular Formula
    C20H26ClNOS
    Molecular Weight
    363.9  g/mol
    InChI Key
    RAOHHYUBMJLHNC-UHFFFAOYSA-N
    FDA UNII
    84L8XK6N1G
    Methixene
    1 2D Structure

    Methixene

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;hydrate;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2
    2.1.3 InChI Key
    RAOHHYUBMJLHNC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24.O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    84L8XK6N1G
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-methyl-3-(thioxanthen-9-ylmethyl)- Piperidine Hydrochloride

    2. Methixene

    3. Methixene Hydrochloride, Monohydrate

    4. Metixene

    5. Tremarit

    2.3.2 Depositor-Supplied Synonyms

    1. 7081-40-5

    2. 3-((9h-thioxanthen-9-yl)methyl)-1-methylpiperidine Hydrochloride Hydrate

    3. Methixene Hcl

    4. Metixene Hydrochloride Hydrate

    5. Methixene Hydrochloride Hydrete

    6. Methixene Hydrochloride [usan]

    7. Sj 1977

    8. Methixene Hydrochloride Hydrate

    9. Metixene Hydrochloride Monohydrate

    10. Methixene Hydrochloride Monohydrate

    11. 1-methyl-3-(9h-thioxanthen-9-ylmethyl)piperidine;hydrate;hydrochloride

    12. 84l8xk6n1g

    13. 1-methyl-3-(thioxanthen-9-ylmethyl)piperidine Hydrochloride Monohydrate

    14. Piperidine, 1-methyl-3-(9h-thioxanthen-9-ylmethyl)-, Hydrochloride, Monohydrate

    15. Nsc-78194

    16. Sj-1977

    17. Nsc 78194

    18. Metixene Hydrochloride (jan)

    19. Methixene Hydrochloride (usan)

    20. Metixene Hydrochloride [jan]

    21. Mls002153842

    22. Anhydrous Metixene Hydrochloride

    23. Metixene Hydrochloride Anhydrous

    24. Chebi:51025

    25. Smr001233205

    26. Unii-84l8xk6n1g

    27. Trest (tn)

    28. Schembl121381

    29. Chembl1200426

    30. Dtxsid00991080

    31. Mfcd00941488

    32. Akos015855384

    33. Metixene Hydrochloride [mart.]

    34. Hy-120081a

    35. Bs-29371

    36. Metixene Hydrochloride [ep Impurity]

    37. Cs-0085190

    38. Ft-0657024

    39. Methixene Hydrochloride [orange Book]

    40. Metixene Hydrochloride [ep Monograph]

    41. C76260

    42. D01871

    43. 081m405

    44. A837000

    45. Q27887706

    46. 3-((9h-thioxanthen-9-yl)methyl)-1-methylpiperidine Hcl Hydrate

    47. 3-((9h-thioxanthen-9-yl)methyl)-1-methylpiperidinehydrochloridehydrate

    48. 1-methyl-3-[(9h-thioxanthen-9-yl)methyl]piperidine--hydrogen Chloride--water (1/1/1)

    49. 3-hydroxy-2-(4-methoxyphenyl)chromen-4-one;3-((9h-thioxanthen-9-yl)methyl)-1-methylpiperidine Hydrochloride Hydrate

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 363.9 g/mol
    Molecular Formula C20H26ClNOS
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass363.1423633 g/mol
    Monoisotopic Mass363.1423633 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity349
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

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