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    Technical details about DSSTox_CID_28896, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_28896

    APIs // Active Pharmaceutical Ingredients

    MARKET PLACE

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 37517-26-3, Pipothiazine palmitate, Pipotiazine palmitate [usan], Rp 19552, Pipotiazine palmitic ester, 4q3h01qrmi
    Molecular Formula
    C40H63N3O4S2
    Molecular Weight
    714.1  g/mol
    InChI Key
    KTOYYUONFQWSMW-UHFFFAOYSA-N
    FDA UNII
    4Q3H01QRMI
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[1-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperidin-4-yl]ethyl hexadecanoate
    2.1.2 InChI
    InChI=1S/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3
    2.1.3 InChI Key
    KTOYYUONFQWSMW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    4Q3H01QRMI
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 19552 Rp

    2. Pipothiazin Palmitate

    3. Pipothiazine Palmitate

    4. Pipotiazin Retard

    2.3.2 Depositor-Supplied Synonyms

    1. 37517-26-3

    2. Pipothiazine Palmitate

    3. Pipotiazine Palmitate [usan]

    4. Rp 19552

    5. Pipotiazine Palmitic Ester

    6. 4q3h01qrmi

    7. 19552 Rp

    8. Il-19552

    9. Rp-19552

    10. 2-[1-[3-[2-(dimethylsulfamoyl)phenothiazin-10-yl]propyl]piperidin-4-yl]ethyl Hexadecanoate

    11. 10-(3-(4-(2-hydroxyethyl)piperidino)propyl)-n,n-dimethylphenothiazine-2-sulfonamide Palmitate (ester)

    12. Ncgc00182048-01

    13. 2-[1-[3-[2-[(dimethylamino)sulphonyl]-10h-phenothiazin-10-yl]propyl]piperidin-4-yl]ethyl Palmitate

    14. Hexadecanoic Acid, 2-(1-(3-(2-((dimethylamino)sulfonyl)-10h-phenothiazin-10-yl)propyl)-4-piperidinyl)ethyl Ester

    15. Pipotiazine Palmitate (usan)

    16. Piportil Depot

    17. 2-(1-(3-(2-((dimethylamino)sulphonyl)-10h-phenothiazin-10-yl)propyl)piperidin-4-yl)ethyl Palmitate

    18. Il 19552

    19. Einecs 253-536-4

    20. Unii-4q3h01qrmi

    21. Pipotiazin Retard

    22. Pipotiazine-palmitate

    23. Pipothiazin Palmitate

    24. Piportil Depot (tn)

    25. Dsstox_cid_28896

    26. Dsstox_rid_83164

    27. Dsstox_gsid_48970

    28. Schembl636669

    29. Chembl2106439

    30. Dtxsid5048970

    31. Chebi:135769

    32. Zinc8214658

    33. Tox21_113420

    34. Pipotiazine Palmitate [mart.]

    35. Akos015962982

    36. Pipotiazine Palmitate [who-dd]

    37. Ac-1270

    38. Pipotiazine Palmitic Ester [mi]

    39. Cas-37517-26-3

    40. Ft-0673939

    41. D02680

    42. Sr-01000944866

    43. Sr-01000944866-1

    44. Q27260354

    45. 2-[1-[3-[2-[(dimethylamino)sulphonyl]-10h-phenothiazin-10-yl]propyl]piperidin-4-yl]ethylpalmitate

    46. Palmitic Acid 2-[1-[3-[2-[(dimethylamino)sulfonyl]-10h-phenothiazin-10-yl]propyl]-4-piperidinyl]ethyl Ester

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 714.1 g/mol
    Molecular Formula C40H63N3O4S2
    XLogP311.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count24
    Exact Mass713.42599985 g/mol
    Monoisotopic Mass713.42599985 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count49
    Formal Charge0
    Complexity1010
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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