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    Canthaxanthin

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 67Xls

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    2D Structure
    Also known as: 514-78-3, Orobronze, Carophyll red, Beta,beta-carotene-4,4'-dione, Food orange 8, Cantaxanthin
    Molecular Formula
    C40H52O2
    Molecular Weight
    564.8  g/mol
    InChI Key
    FDSDTBUPSURDBL-DKLMTRRASA-N
    FDA UNII
    4C3C6403MU
    A trans-carotenoid pigment widely distributed in nature. The compound is used as an oral suntanning agent and as a food and drug coloring agent. Oral ingestion of the compound causes canthaxanthin retinopathy.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
    2.1.2 InChI
    InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
    2.1.3 InChI Key
    FDSDTBUPSURDBL-DKLMTRRASA-N
    2.1.4 Canonical SMILES
    CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C
    2.1.5 Isomeric SMILES
    CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C
    2.2 Other Identifiers
    2.2.1 UNII
    4C3C6403MU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. C.i. 40850

    2. Canthaxanthine

    3. Carophyll Red

    4. Food Orange 8

    5. Orobronze

    6. Roxanthin Red 10

    2.3.2 Depositor-Supplied Synonyms

    1. 514-78-3

    2. Orobronze

    3. Carophyll Red

    4. Beta,beta-carotene-4,4'-dione

    5. Food Orange 8

    6. Cantaxanthin

    7. Canthaxanthine

    8. Roxanthin Red 10

    9. Cantaxanthine

    10. L-orange 7

    11. 4,4'-dioxo-beta-carotene

    12. Canthaxanthin (trans)

    13. Canthaxanthin, Powder

    14. Ci 40850

    15. All-trans,beta-carotene-4,4'-dione

    16. Chebi:3362

    17. 4c3c6403mu

    18. Nsc-374110

    19. Ncgc00095896-01

    20. 2,4,4-trimethyl-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one

    21. C.i. Food Orange 8

    22. All-trans-canthaxanthin

    23. 3,3'-((1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(2,4,4-trimethylcyclohex-2-en-1-one)

    24. Carotene-4,4'-dione, Beta-

    25. Ccris 3276

    26. E 161g

    27. Einecs 208-187-2

    28. Nsc 374110

    29. Ro 1-9915

    30. E 161 G

    31. Brn 1898520

    32. Beta-carotene-4,4'-dione, All-trans-

    33. Unii-4c3c6403mu

    34. Canthaxanthin (euglenanone)

    35. Mfcd00016364

    36. Cantha

    37. Kantakisantin

    38. Canthaxanthin, Tech.

    39. Lucantin Red

    40. Isomer Of Canthaxanthin

    41. 4,4'-diketo-b-carotene

    42. Ci-food Orange 8

    43. Dsstox_cid_2727

    44. Canthaxanthin [mi]

    45. Beta-carotin-4,4?-dione

    46. Canthaxanthin [fcc]

    47. 4,4'-diketo-beta-carotene

    48. Dsstox_rid_76702

    49. Dsstox_gsid_22727

    50. Schembl19618

    51. 4-07-00-02680 (beilstein Handbook Reference)

    52. Canthaxanthin [mart.]

    53. E161g

    54. Ins No.161g

    55. Spectrum1504204

    56. Canthaxanthin [who-dd]

    57. Ins-161g

    58. Chembl1329004

    59. Dtxsid0022727

    60. Schembl12920083

    61. Canthaxanthin (e 161g)

    62. Ci 40850 [inci]

    63. Hms2089k15

    64. Hy-b1960

    65. Tox21_111533

    66. All-trans-beta-carotene-4,4'-dione

    67. Canthaxanthin, >=95.0% (hplc)

    68. E-161g

    69. Lmpr01070264

    70. Nsc374110

    71. Zinc17653971

    72. .beta.-carotene-4,4'-dione

    73. 4,4'-diketo-.beta.-carotene

    74. Ccg-207976

    75. Cs-6879

    76. Cas-514-78-3

    77. Ls-15425

    78. Ro-19915

    79. Canthaxanthin (trans), Analytical Standard

    80. Canthaxanthine 10 Microg/ml In Acetonitrile

    81. Ci-(1975)no.40850

    82. C08583

    83. Ab00053349-02

    84. Q385657

    85. W-105885

    86. Canthaxanthine. Short Expiry Date Due To Chemical Nature Of Component(s)

    87. 3,3'-((1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(2,4,4-trimethylcyclohex-2-enone)

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 564.8 g/mol
    Molecular Formula C40H52O2
    XLogP311.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count10
    Exact Mass564.396730897 g/mol
    Monoisotopic Mass564.396730897 g/mol
    Topological Polar Surface Area34.1 Ų
    Heavy Atom Count42
    Formal Charge0
    Complexity1270
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count9
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antioxidants

    Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)