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    Technical details about DSSTox_CID_31392, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_31392

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    PATENTS

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    Temad- We think of world-class quality.

    2D Structure
    1. Also known as: Cestex, 98123-83-2, Epsiprantel, (+)-, Epsiprantel, (-)-, Brl 38705, 0c1spq0fsr
    Molecular Formula
    C20H26N2O2
    Molecular Weight
    326.4  g/mol
    InChI Key
    LGUDKOQUWIHXOV-UHFFFAOYSA-N
    FDA UNII
    WUC74DW9SN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(cyclohexanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
    2.1.2 InChI
    InChI=1S/C20H26N2O2/c23-19-14-21(20(24)16-8-2-1-3-9-16)13-18-17-11-5-4-7-15(17)10-6-12-22(18)19/h4-5,7,11,16,18H,1-3,6,8-10,12-14H2
    2.1.3 InChI Key
    LGUDKOQUWIHXOV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCCN3C(=O)C2
    2.2 Other Identifiers
    2.2.1 UNII
    WUC74DW9SN
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Brl 38705

    2. Brl-38705

    3. Epsiprantel, (+)-isomer

    4. Epsiprantel, (-)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. Cestex

    2. 98123-83-2

    3. Epsiprantel, (+)-

    4. Epsiprantel, (-)-

    5. Brl 38705

    6. 0c1spq0fsr

    7. Wuc74dw9sn

    8. Ju2x6k5bl3

    9. Brl38705

    10. Epsiprantel (inn)

    11. Brl-38705

    12. Epsiprantel [inn]

    13. (+-)-2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydropyrazino(2,1-a)(2)benzazepin-4(1h)-one

    14. Pyrazino[2,1-a][2]benzazepin-4(1h)-one, 2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydro-

    15. Brl38705;brl-38705;brl 38705

    16. Epsiprantelum

    17. (+)-2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydropyrazino(2,1-a)(2)benzazepin-4(1h)-one

    18. (-)-2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydropyrazino(2,1-a)(2)benzazepin-4(1h)-one

    19. 98123-66-1

    20. 98123-67-2

    21. Pyrazino(2,1-a)(2)benzazepin-4(1h)-one, 2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydro-, (+)-

    22. Pyrazino(2,1-a)(2)benzazepin-4(1h)-one, 2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydro-, (-)-

    23. Epsiprantelum [latin]

    24. Epsiprantel [inn:ban]

    25. Unii-0c1spq0fsr

    26. Pyrazino(2,1-a)(2)benzazepin-4(1h)-one, 2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydro-

    27. Cestex (tn)

    28. Epsiprantel [mi]

    29. Unii-wuc74dw9sn

    30. Unii-ju2x6k5bl3

    31. 2-(cyclohexanecarbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one

    32. Dsstox_cid_31392

    33. Dsstox_rid_97531

    34. Epsiprantel [mart.]

    35. Dsstox_gsid_57858

    36. Chembl64979

    37. Schembl165343

    38. Dtxsid3057858

    39. Epsiprantel [green Book]

    40. Tox21_113678

    41. Ncgc00249902-01

    42. Cas-98123-83-2

    43. D07903

    44. Q1347716

    45. 2-(cyclohexylcarbonyl)-4-oxo-1,2,3,4,6,7,8,12b-octahydropyrazino[2,1-a][2]benzazepine

    46. (+/-)-2-(cyclohexylcarbonyl)-2,3,6,7,8,12b-hexahydropyrazino(2,1-a)(2)benzazepin-4(1h)-one

    47. 2-cyclohexylcarbonyl-2,3,6,7,8,12b-hexahydropyrazino(2,1-a)(2)benzazepin-4(1h)-one

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 326.4 g/mol
    Molecular Formula C20H26N2O2
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass326.199428076 g/mol
    Monoisotopic Mass326.199428076 g/mol
    Topological Polar Surface Area40.6 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity486
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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