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    Acetyl Triethyl Citrate API

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 77-89-4, Acetyltriethyl citrate, Triethyl o-acetylcitrate, Triethyl 2-acetoxypropane-1,2,3-tricarboxylate, Citroflex a 2, Atec
    Molecular Formula
    C14H22O8
    Molecular Weight
    318.32  g/mol
    InChI Key
    WEAPVABOECTMGR-UHFFFAOYSA-N
    FDA UNII
    5WBR36T90E
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
    2.1.2 InChI
    InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
    2.1.3 InChI Key
    WEAPVABOECTMGR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    5WBR36T90E
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,2,3-propanetricarboxylic Acid, 2-(acetyloxy)-, Triethyl Ester

    2. Triethyl 2-acetoxy-1,2,3-propanetricarboxylate

    3. Triethyl 2-acetylcitrate

    2.3.2 Depositor-Supplied Synonyms

    1. 77-89-4

    2. Acetyltriethyl Citrate

    3. Triethyl O-acetylcitrate

    4. Triethyl 2-acetoxypropane-1,2,3-tricarboxylate

    5. Citroflex A 2

    6. Atec

    7. Triethyl Acetylcitrate

    8. Triethyl 2-acetylcitrate

    9. O-acetylcitric Acid Triethyl Ester

    10. Citric Acid, Acetyl Triethyl Ester

    11. 1,2,3-propanetricarboxylic Acid, 2-(acetyloxy)-, Triethyl Ester

    12. Acetyltriethylcitrate

    13. Nsc 3887

    14. Acetyltriethyl Citrate [nf]

    15. Triethyl 2-acetyloxypropane-1,2,3-tricarboxylate

    16. Citric Acid, Triethyl Ester, Acetate

    17. Triethyl Citrate Acetate

    18. Nsc-3887

    19. Triethyl 2-acetoxy-1,2,3-propanetricarboxylate

    20. Triethylester Kyseliny Acetylcitronove

    21. 5wbr36t90e

    22. 1,2,3-propanetricarboxylic Acid, 2-(acetyloxy)-, 1,2,3-triethyl Ester

    23. 2-(acetyloxy)-1,2,3-propanetricarboxylic Acid, Triethyl Ester

    24. Tricarballylic Acid, .beta.-acetoxytributyl Ester

    25. Triethyl Citrate, Acetate

    26. Citroflex A-2

    27. Triethyl Acetyl Citrate

    28. Einecs 201-066-5

    29. Brn 1804947

    30. Unii-5wbr36t90e

    31. Ai3-03574

    32. Triethylester Kyseliny Acetylcitronove [czech]

    33. Tricarballylic Acid, Beta-acetoxytributyl Ester

    34. Uniplex 82

    35. Dsstox_cid_24576

    36. Dsstox_rid_80325

    37. Dsstox_gsid_44576

    38. Schembl42702

    39. 3-03-00-01105 (beilstein Handbook Reference)

    40. 3-o-acetylcitric Acid Triethyl

    41. Chembl2105928

    42. Dtxsid5044576

    43. Ethchlorvynolciv(0.7ml)

    44. Triethyl 2-acetylcitrate, 99%

    45. Nsc3887

    46. Zinc3875492

    47. Tox21_301483

    48. Mfcd00049378

    49. Wln: 2ov1xvo2&ov1&1vo2

    50. Acetyl Triethyl Citrate [inci]

    51. Acetyltriethyl Citrate [mart.]

    52. Akos024464792

    53. Acetyltriethyl Citrate [usp-rs]

    54. Cs-w009904

    55. Cas-77-89-4

    56. Ncgc00256002-01

    57. Ls-14339

    58. Citric Acid, O-acetyltriethyl Ester

    59. Db-056267

    60. A0086

    61. Ft-0631334

    62. Ft-0659670

    63. Triethyl 2-acetoxy-1,3-propanetricarboxylate

    64. E75747

    65. Acetyl-triethyl Citrate Mil-a-47059 Mil Spec

    66. Sr-01000944782

    67. Sr-01000944782-1

    68. Q27262956

    69. Triethyl 2-(acetyloxy)-1,2,3-propanetricarboxylate #

    70. Triethyl 2-acetyloxypropane-1,2,3-tricarboxylate, Atec

    71. 1,2,3-propanetricarboxylic Acid, 2-acetoxy-, Triethyl Ester

    72. 1,3-propanetricarboxylic Acid, 2-(acetyloxy)-, Triethyl Ester

    73. Acetyltriethyl Citrate, United States Pharmacopeia (usp) Reference Standard

    74. Triethyl 2-acetylcitrate, Pharmaceutical Secondary Standard; Certified Reference Material

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 318.32 g/mol
    Molecular Formula C14H22O8
    XLogP30.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count13
    Exact Mass318.13146766 g/mol
    Monoisotopic Mass318.13146766 g/mol
    Topological Polar Surface Area105 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity395
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1