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    Aloe Emodin

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    $ API Ref.Price (USD/KG) : 147Xls

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    2D Structure
    Also known as: Aloe emodin, 481-72-1, Aloeemodin, Aloe-emodine, Rhabarberone, 3-hydroxymethylchrysazine
    Molecular Formula
    C15H10O5
    Molecular Weight
    270.24  g/mol
    InChI Key
    YDQWDHRMZQUTBA-UHFFFAOYSA-N
    FDA UNII
    C8IYT9CR7C
    aloe emodin is a natural product found in Rhamnus davurica, Aloe succotrina, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
    2.1.2 InChI
    InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
    2.1.3 InChI Key
    YDQWDHRMZQUTBA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO
    2.2 Other Identifiers
    2.2.1 UNII
    C8IYT9CR7C
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Aloe Emodin

    2.3.2 Depositor-Supplied Synonyms

    1. Aloe Emodin

    2. 481-72-1

    3. Aloeemodin

    4. Aloe-emodine

    5. Rhabarberone

    6. 3-hydroxymethylchrysazine

    7. 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione

    8. 1,8-dihydroxy-3-(hydroxymethyl)anthraquinone

    9. 3-hydroxymethylchrysazin

    10. Emodine

    11. 1,8-dihydroxy-3-hydroxymethylanthraquinone

    12. Nsc 38628

    13. 9,10-anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-

    14. 1,8-dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione

    15. C8iyt9cr7c

    16. 3-(hydroxymethyl)chrysazin

    17. Chembl40275

    18. Chebi:2607

    19. 1,8-dihydroxy-3-hydroxymethyl-anthraquinone

    20. Nsc38628

    21. 1,8-dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone

    22. Nsc-38628

    23. Anthraquinone, 1,8-dihydroxy-3-(hydroxymethyl)-

    24. Smr000470920

    25. Ccris 3526

    26. Einecs 207-571-7

    27. Unii-c8iyt9cr7c

    28. Brn 2059062

    29. Aloe-emodol

    30. Rottlerin?

    31. 1,8-dihydroxy-3-(hydroxymethyl)-anthracene-9,10-dione (aloe-emodin)

    32. Aloe-emodine,(s)

    33. Aloe-emodin-[d5]

    34. Mfcd00017373

    35. Aloe-emodin [mi]

    36. Dsstox_cid_10695

    37. Dsstox_rid_78855

    38. Dsstox_gsid_30695

    39. 4-08-00-03578 (beilstein Handbook Reference)

    40. Cid_10207

    41. Mls000697563

    42. Mls006011799

    43. Schembl309756

    44. Anthraquinone, 1,8-dihydroxy-3-hydroxymethyl-

    45. Aloe-emodin, Analytical Standard

    46. Dtxsid2030695

    47. Aloe-emodin, >=95% (hplc)

    48. Hms3655n16

    49. Bcp28272

    50. Ex-a6788

    51. Hy-n0189

    52. Zinc4098644

    53. Tox21_302400

    54. Ac-020

    55. Bbl027838

    56. Bdbm50085551

    57. Lmpk13040002

    58. S2259

    59. Stl146380

    60. Akos005720864

    61. Ccg-208456

    62. Cs-3709

    63. 9, 1,8-dihydroxy-3-(hydroxymethyl)-

    64. Smp2_000291

    65. Ncgc00163510-01

    66. Ncgc00163510-02

    67. Ncgc00163510-03

    68. Ncgc00255349-01

    69. As-11638

    70. Cas-481-72-1

    71. Nci60_003685

    72. Ft-0622062

    73. N1851

    74. Sw219916-1

    75. Anthraquinone,8-dihydroxy-3-(hydroxymethyl)-

    76. 481a721

    77. Sr-01000765772

    78. Q-100526

    79. Q3533249

    80. Sr-01000765772-3

    81. Dihydroxy-3-hydroxymethylanthraquinone, 1,8-

    82. 1,8-dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone #

    83. 1,8-dihydroxy-3-hydroxymethyl-9,10-anthracenedione, 9ci

    84. 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-2-hydroxymethyl-anthracene

    85. Diacerein Impurity B, European Pharmacopoeia (ep) Reference Standard

    86. 1,8-dihydroxy-3-(hydroxymethyl)-9,10-dihydroanthracene-9,10-dione

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 270.24 g/mol
    Molecular Formula C15H10O5
    XLogP31.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass270.05282342 g/mol
    Monoisotopic Mass270.05282342 g/mol
    Topological Polar Surface Area94.8 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity421
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1