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    1,3,5-Trimethoxybenzene

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 163Xls

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    2D Structure
    Also known as: 621-23-8, Phloroglucinol trimethyl ether, Sym-trimethoxybenzene, Benzene, 1,3,5-trimethoxy-, 1,3,5-trimethyoxybenzene, Mfcd00008385
    Molecular Formula
    C9H12O3
    Molecular Weight
    168.19  g/mol
    InChI Key
    LKUDPHPHKOZXCD-UHFFFAOYSA-N
    FDA UNII
    00VJI3VG3D
    1,3,5-trimethoxybenzene is a natural product found in Zieria chevalieri, Virola surinamensis, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3,5-trimethoxybenzene
    2.1.2 InChI
    InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
    2.1.3 InChI Key
    LKUDPHPHKOZXCD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC(=C1)OC)OC
    2.2 Other Identifiers
    2.2.1 UNII
    00VJI3VG3D
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Trimethylphloroglucinol

    2.3.2 Depositor-Supplied Synonyms

    1. 621-23-8

    2. Phloroglucinol Trimethyl Ether

    3. Sym-trimethoxybenzene

    4. Benzene, 1,3,5-trimethoxy-

    5. 1,3,5-trimethyoxybenzene

    6. Mfcd00008385

    7. 00vji3vg3d

    8. Chebi:31038

    9. Nsc-90060

    10. Ncgc00095239-01

    11. Dsstox_cid_25963

    12. Dsstox_rid_81259

    13. Dsstox_gsid_45963

    14. 1,3,5-trimethoxybenzene (jan)

    15. O,o,o-1,3,5-trimethylresorcinol

    16. 1,3,5-trimethoxybenzene [jan]

    17. Cas-621-23-8

    18. Einecs 210-673-4

    19. Nsc 90060

    20. Unii-00vji3vg3d

    21. 1,3,5-trimethoxy Benzene

    22. Brn 1307993

    23. 1,5-trimethoxybenzene

    24. Spectrum_001404

    25. 1,5-trimethyoxybenzene

    26. 1,3,5-trimethoxybenzol

    27. Spectrum2_000426

    28. Spectrum3_001030

    29. Spectrum4_001163

    30. Spectrum5_001766

    31. 1,3,5 -trimethoxybenzene

    32. 1,3,5-trimethoxy-benzene

    33. 2,4,6-trimethoxy-benzene

    34. Nciopen2_001419

    35. Schembl28493

    36. Bspbio_002819

    37. Kbiogr_001765

    38. Kbioss_001884

    39. Spectrum231043

    40. 4-06-00-07362 (beilstein Handbook Reference)

    41. Mls002207155

    42. Spbio_000412

    43. Chembl1605492

    44. Dtxsid0045963

    45. Kbio2_001884

    46. Kbio2_004452

    47. Kbio2_007020

    48. Kbio3_002039

    49. Hms1763e15

    50. Hms1923e11

    51. Zinc388241

    52. Act04949

    53. Hy-y0678

    54. Nsc90060

    55. Tox21_111489

    56. Ccg-39953

    57. S6294

    58. Akos000120577

    59. Tox21_111489_1

    60. Am10837

    61. Cs-w009141

    62. Trimethylphloroglucinol [who-dd]

    63. Ncgc00095239-02

    64. Ncgc00095239-03

    65. Ncgc00095239-05

    66. As-10870

    67. Smr001306732

    68. Sy018307

    69. Ft-0606514

    70. P0250

    71. Phloroglucinol Trimethyl Ether [inci]

    72. D01792

    73. D70893

    74. A833592

    75. 1,3,5-trimethoxybenzene, Reagentplus(r), >=99%

    76. Q-200071

    77. Brd-k81884069-001-02-8

    78. Brd-k81884069-001-03-6

    79. Q27114090

    80. 1,3,5-trimethoxybenzene, Vetec(tm) Reagent Grade, 98%

    81. 1,3,5-trimethoxybenzene, Standard For Quantitative Nmr, Tracecert(r)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 168.19 g/mol
    Molecular Formula C9H12O3
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass168.078644241 g/mol
    Monoisotopic Mass168.078644241 g/mol
    Topological Polar Surface Area27.7 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity91.2
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Parasympatholytics

    Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)