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    Technical details about Tox21_300555, learn more about the structure, uses, toxicity, action, side effects and more

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    Tox21_300555

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    ANALYTICAL SOLUTION(s)

    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: Methyl laurate, 111-82-0, Lauric acid methyl ester, Dodecanoic acid, methyl ester, Methyl laurinate, Methyl dodecylate
    Molecular Formula
    C13H26O2
    Molecular Weight
    214.34  g/mol
    InChI Key
    UQDUPQYQJKYHQI-UHFFFAOYSA-N
    FDA UNII
    8IPS6BI6KW
    methyl laurate is a natural product found in Astragalus mongholicus, Mandragora officinarum, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl dodecanoate
    2.1.2 InChI
    InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
    2.1.3 InChI Key
    UQDUPQYQJKYHQI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCC(=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    8IPS6BI6KW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Lauric Acid Methyl Ester

    2. Lauric Acid Methyl Ester, C14-labeled

    3. Methyl Laurate

    2.3.2 Depositor-Supplied Synonyms

    1. Methyl Laurate

    2. 111-82-0

    3. Lauric Acid Methyl Ester

    4. Dodecanoic Acid, Methyl Ester

    5. Methyl Laurinate

    6. Methyl Dodecylate

    7. Methyl N-dodecanoate

    8. Lauric Acid, Methyl Ester

    9. Uniphat A40

    10. Metholene 2296

    11. Stepan C40

    12. Fema No. 2715

    13. Nsc 5027

    14. Dodecanoic Acid Methyl Ester

    15. 8ips6bi6kw

    16. Dodecanoic Acid-methyl Ester

    17. Chebi:87494

    18. Nsc-5027

    19. Methyllaurate

    20. Dsstox_cid_6889

    21. We(1:0/12:0)

    22. Dsstox_rid_78239

    23. Dsstox_gsid_26889

    24. Fema Number 2715

    25. C13h26o2

    26. Cas-111-82-0

    27. Hsdb 5550

    28. Einecs 203-911-3

    29. Unii-8ips6bi6kw

    30. Mfcd00008966

    31. Brn 1767780

    32. Methyl-laurate

    33. Ai3-00669

    34. Lauric Acid Methyl

    35. Methyl Dodecanoate, 99.8%

    36. Methyl Laurate, 99.5%

    37. Ec 203-911-3

    38. Uniphat A40 In 511

    39. Methyl Laurate [ii]

    40. Schembl38030

    41. 4-02-00-01090 (beilstein Handbook Reference)

    42. Methyl Laurate [fhfi]

    43. Methyl Laurate [inci]

    44. Methyl Laurate, >=98%, Fg

    45. Chembl1894365

    46. Dtxsid5026889

    47. Methyl Laurate [usp-rs]

    48. Fema 2715

    49. Methyl Dodecanoate [hsdb]

    50. Nsc5027

    51. Str07936

    52. Zinc1680661

    53. Methyl Laurate, Natural, 98%, Fg

    54. Tox21_201488

    55. Tox21_300555

    56. Lmfa07010463

    57. Stl477114

    58. Akos004910323

    59. Cs-w004286

    60. Hy-w004286

    61. Me C 12 70

    62. Methyl Dodecanoate, Analytical Standard

    63. Ncgc00164095-01

    64. Ncgc00164095-02

    65. Ncgc00164095-03

    66. Ncgc00254464-01

    67. Ncgc00259039-01

    68. Dodecanoic Acid Methyl Ester (fame Mix)

    69. Db-003723

    70. Ft-0627718

    71. L0015

    72. D77652

    73. A802417

    74. J-002637

    75. Q27159671

    76. Methyl Laurate, Certified Reference Material, Tracecert(r)

    77. 77730007-072e-4c8a-8b4b-886e9c44946c

    78. Methyl Laurate, United States Pharmacopeia (usp) Reference Standard

    79. Methyl Laurate, Pharmagrade, Manufactured Under Appropriate Gmp Controls For Pharma Or Biopharmaceutical Production.

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 214.34 g/mol
    Molecular Formula C13H26O2
    XLogP35.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count11
    Exact Mass214.193280068 g/mol
    Monoisotopic Mass214.193280068 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity144
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    EXPTL USE: METHYL LAURATE (5 MG) GIVEN DAILY FOR 5 DAYS TO MICE IMPLANTED IP WITH 106 EHRLICH ASCITES TUMOR CELLS PROLONGED SURVIVAL.

    PMID:5582112 KATO A ET AL; CANCER RES 31 (5): 501 (1971)

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