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    Technical details about DSSTox_CID_31443, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_31443

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

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

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: Embutane, 15687-14-6, Embutramid, N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide, T-61, Butanamide, n-(2-ethyl-2-(3-methoxyphenyl)butyl)-4-hydroxy-
    Molecular Formula
    C17H27NO3
    Molecular Weight
    293.4  g/mol
    InChI Key
    LMBMDLOSPKIWAP-UHFFFAOYSA-N
    FDA UNII
    3P4TQG94T1
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide
    2.1.2 InChI
    InChI=1S/C17H27NO3/c1-4-17(5-2,13-18-16(20)10-7-11-19)14-8-6-9-15(12-14)21-3/h6,8-9,12,19H,4-5,7,10-11,13H2,1-3H3,(H,18,20)
    2.1.3 InChI Key
    LMBMDLOSPKIWAP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(CC)(CNC(=O)CCCO)C1=CC(=CC=C1)OC
    2.2 Other Identifiers
    2.2.1 UNII
    3P4TQG94T1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-(2-(3-methoxyphenyl)-2-ethylbutyl-(1))-gamma-hydroxybutyramide

    2.3.2 Depositor-Supplied Synonyms

    1. Embutane

    2. 15687-14-6

    3. Embutramid

    4. N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide

    5. T-61

    6. Butanamide, N-(2-ethyl-2-(3-methoxyphenyl)butyl)-4-hydroxy-

    7. Hoe 18 680

    8. 3p4tqg94t1

    9. Hoe-18680

    10. Hoe-18-680

    11. Embutramida

    12. Embutramidum

    13. Butanamide, N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxy-

    14. N-(.beta.,.beta.-diethyl-m-methoxyphenethyl)-4-hydroxybutyramide

    15. Embutramidum [inn-latin]

    16. Embutramida [inn-spanish]

    17. Embutramide [usan:inn:ban]

    18. Einecs 239-780-4

    19. Hoe 18,680

    20. Unii-3p4tqg94t1

    21. Tributane

    22. Embutane (tn)

    23. N-(beta,beta-diethyl-m-methoxyphenethyl)-4-hydroxybutyramide

    24. Embutramide [inn]

    25. Embutramide (usan/inn)

    26. Embutramide [usan]

    27. Dsstox_cid_31443

    28. Dsstox_rid_97329

    29. Embutramide [mart.]

    30. Dsstox_gsid_57654

    31. Schembl294224

    32. Dea No. 2020

    33. Embutramid [green Book]

    34. Chembl2104668

    35. Dtxsid7057654

    36. Zinc2018676

    37. Tox21_113716

    38. Hy-u00009

    39. Cs-6631

    40. Db01487

    41. Embutramide 1.0 Mg/ml In Acetonitrile

    42. Hoe-18 680

    43. Ncgc00253572-01

    44. Cas-15687-14-6

    45. D03984

    46. Q908240

    47. N-[2-ethyl-2-(3-methoxyphenyl)butyl]-4-hydroxybutanamide #

    48. N-(.beta.,.beta.-dimethyl-m-methoxyphenethyl)-4-hydroxybutyramide

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 293.4 g/mol
    Molecular Formula C17H27NO3
    XLogP32.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count9
    Exact Mass293.19909372 g/mol
    Monoisotopic Mass293.19909372 g/mol
    Topological Polar Surface Area58.6 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity302
    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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