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    Technical details about Tox21_202528, learn more about the structure, uses, toxicity, action, side effects and more

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    Tox21_202528

    APIs // Active Pharmaceutical Ingredients

    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: Oleic acid diethanolamide, 93-83-4, N,n-diethanololeamide, Oleamide dea, Amisol ode, Diethanololeamide
    Molecular Formula
    C22H43NO3
    Molecular Weight
    369.6  g/mol
    InChI Key
    LPMBTLLQQJBUOO-KTKRTIGZSA-N
    FDA UNII
    5C1I3E441Q
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-N,N-bis(2-hydroxyethyl)octadec-9-enamide
    2.1.2 InChI
    InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3/b10-9-
    2.1.3 InChI Key
    LPMBTLLQQJBUOO-KTKRTIGZSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO
    2.1.5 Isomeric SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO
    2.2 Other Identifiers
    2.2.1 UNII
    5C1I3E441Q
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Oleic Acid Diethanolamide

    2. 93-83-4

    3. N,n-diethanololeamide

    4. Oleamide Dea

    5. Amisol Ode

    6. Diethanololeamide

    7. Mackamide O

    8. Comperlan Od

    9. Emulsifier Whc

    10. Schercomid Oda

    11. Alrosol O

    12. Lauridit Od

    13. Nitrene No

    14. Stafoam Do

    15. N,n-bis(2-hydroxyethyl)oleamide

    16. Witcamide 511c

    17. Marlamid D 1885

    18. Steinamid Do 280se

    19. (z)-n,n-bis(2-hydroxyethyl)octadec-9-enamide

    20. 9-octadecenamide, N,n-bis(2-hydroxyethyl)-, (z)-

    21. Emid 6545

    22. Oleic Acid Diethanolamine Condensate

    23. Oleamide, N,n-bis(2-hydroxyethyl)-

    24. 9-octadecenamide, N,n-bis(2-hydroxyethyl)-, (9z)-

    25. N,n-bis-(2-hydroxyethyl)oleamide

    26. 5c1i3e441q

    27. N,n-bis(2-hydroxyethyl)-9-octadecenamide

    28. 9-octadecenamide, N,n-bis(2-hydroxyethyl)-

    29. (9z)-n,n-bis(2-hydroxyethyl)octadec-9-enamide

    30. Clindrol 2000

    31. Clindrol 2020

    32. Unii-5c1i3e441q

    33. Incromide Od

    34. Mackamide Mo

    35. Amidex O

    36. Varamide A-7

    37. Einecs 202-281-7

    38. Oleoyl Diethanolamide

    39. Alkamide Do-280

    40. Oleylamide Dea

    41. Brn 1985420

    42. Calamide O

    43. Norfox F-221

    44. Protamide Ofo-ld

    45. Oleic Acid Diethanolamine

    46. Rewomid Do 280 Se

    47. Dsstox_cid_6563

    48. Ninol 90201

    49. (z)-n,n-bis(2-hydroxyethyl)-9-octadecenamide

    50. Dsstox_rid_78152

    51. Oleamide Dea [inci]

    52. Dsstox_gsid_26563

    53. Chembl15712

    54. Schercomid So-a (salt/mix)

    55. Diethanolamine Oleic Acid Amide

    56. Schembl1614760

    57. Dtxsid8026563

    58. N,n-diethanololeamide, Aldrichcpr

    59. Zinc8585892

    60. Tox21_202528

    61. Cas-93-83-4

    62. Ncgc00091445-01

    63. Ncgc00260077-01

    64. (9z)-n,n-bis(2-hydroxyethyl)-9-octadecenamide #

    65. Q27261806

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 369.6 g/mol
    Molecular Formula C22H43NO3
    XLogP35.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count19
    Exact Mass369.32429423 g/mol
    Monoisotopic Mass369.32429423 g/mol
    Topological Polar Surface Area60.8 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity325
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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