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    Tacalcitol

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: 57333-96-7, Bonalfa, Curatoderm, Tacalcitolum, Tv-02h, Tv-02
    Molecular Formula
    C27H44O3
    Molecular Weight
    416.6  g/mol
    InChI Key
    BJYLYJCXYAMOFT-RSFVBTMBSA-N
    FDA UNII
    C2W72OJ5ZU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    2.1.2 InChI
    InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1
    2.1.3 InChI Key
    BJYLYJCXYAMOFT-RSFVBTMBSA-N
    2.1.4 Canonical SMILES
    CC(C)C(CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O
    2.1.5 Isomeric SMILES
    C[C@H](CC[C@H](C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C
    2.2 Other Identifiers
    2.2.1 UNII
    C2W72OJ5ZU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1 Alpha,24-dihydroxycholecalciferol

    2. 1 Alpha,24-dihydroxyvitamin D3

    3. 1 Alpha,24-dihydroxyvitamin D3, (1alpha,3beta,5z,7e,24r)-isomer

    4. 1 Alpha,24-dihydroxyvitamin D3, (1alpha,3beta,5z,7e,24s)-isomer

    5. 1,24-dihydroxycholecalciferol

    6. 1,24-dihydroxyvitamin D3

    7. Curatoderm

    8. Pri-2191

    2.3.2 Depositor-Supplied Synonyms

    1. 57333-96-7

    2. Bonalfa

    3. Curatoderm

    4. Tacalcitolum

    5. Tv-02h

    6. Tv-02

    7. Unii-c2w72oj5zu

    8. Pri 2191

    9. 1-alpha,24(r)-dihydroxyvitamin D3

    10. (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(2r,5r)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

    11. Tv 02

    12. Pri-2191

    13. C2w72oj5zu

    14. 1.alpha.,24-dihydroxyvitamin D3

    15. 1alpha,24(r)-dihydroxyvitamin D3

    16. Tacalcitol (inn)

    17. Tacalcitol [inn]

    18. 1,24-dihydroxyvitamin D3

    19. (24r)-1alpha,24-dihydroxyvitamin D3 / (24r)-1alpha,24-dihydroxycholecalciferol

    20. (5z,7e)-(1s,3r,24r)-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol

    21. (1r,3s,z)-5-((e)-2-((1r,3as,7ar)-1-((2r,5r)-5-hydroxy-6-methylheptan-2-yl)-7a-methylhexahydro-1h-inden-4(2h)-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol

    22. Bonalfa (tn)

    23. Tacalcitolum [inn-latin]

    24. 1,24(r)-dihydroxyvitamin D3

    25. Chebi:32176

    26. Tacalcitol [inn:ban:jan]

    27. Vellutan

    28. Apsor

    29. Ccris 4211

    30. Tv02

    31. Tacalcitol [mi]

    32. 1alpha,24(oh)2d3

    33. Schembl3945

    34. Tacalcitol [mart.]

    35. Tacalcitol [who-dd]

    36. Tv-02hs

    37. 1a,24-dihydroxycholecalciferol

    38. Gtpl2780

    39. Chembl2105611

    40. Tacalcitol, >=99% (hplc)

    41. Dtxsid90905111

    42. Ex-a4429

    43. Zinc4474668

    44. Bdbm50441892

    45. Lmst03020256

    46. Akos024458008

    47. Cs-0391

    48. Db13689

    49. (1-alpha,3-beta,5z,7e,24r)-9,10-secocholesta-5,7,10(19)-triene-1,3,24-triol

    50. As-77643

    51. Hy-32337

    52. (1alpha,24r)-1,24-dihydroxyvitamin D3

    53. 1.alpha.,24-dihydroxycholecalciferol

    54. D08554

    55. 333t967

    56. Q155682

    57. 1,24(r)-dihydroxyvitamin D3;1.alpha.,24r-dihydroxyvitamin D3

    58. (1s,3r,5z,7e,24r)-9,10-secocholesta-5,7,10-triene-1,3,24-triol

    59. (+)-(5z,7e,24r)-9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol

    60. (1?,3?,5z,7e,24r)-9,10-secocholesta-5,7,10(19)-triene-1,3,24-triol

    61. 1s,3r,5z,7e,24r)-9,10-secocholesta-5,7,10-triene-1,3,24-triol

    62. 9,10-secocholesta-5,7,10(19)-triene-1,3,24-triol, (1-alpha,3-beta,5z,7e,24r)-

    63. (+)-(5z,7e,24r)-9,10-secocholesta-5,7,10(19)-triene-1.alpha.,3.beta.,24-triol

    2.4 Create Date
    2006-01-13
    3 Chemical and Physical Properties
    Molecular Weight 416.6 g/mol
    Molecular Formula C27H44O3
    XLogP35.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass416.32904526 g/mol
    Monoisotopic Mass416.32904526 g/mol
    Topological Polar Surface Area60.7 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity676
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Inflammatory Agents

    Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)

    Dermatologic Agents

    Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic Agents.)

    4.2 ATC Code

    D - Dermatologicals

    D05 - Antipsoriatics

    D05A - Antipsoriatics for topical use

    D05AX - Other antipsoriatics for topical use

    D05AX04 - Tacalcitol