Please Wait
Applying Filters...
menu
    • menu
    Farmak works in the development, production and marketing of APIs, Intermediates & Specialties// FDA inspected.

    Virtual Booth

    Contact Supplier

    Minakem delivers API, HPAPI, steroids & CDMO services for generics with FDA/GMP certification, regulatory know-how & proven success.

    Virtual Booth

    Contact Supplier

    pharmacompass-1-m-2026-01-12

    Virtual Booth

    An Enquiry

    IKF/Pharmasynthese have been with fine chemicals market and APIs performance for more than 40 years.

    Virtual Booth

    Contact Supplier

    Cosma S.p.A., part of CFM Group with AMSA & Clarochem, provides global pharma & veterinary health with 300+ tons of FDA-approved APIs.

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-11-03

    Virtual Booth

    An Enquiry

    Menu

    Pefcalcitol

    DEVELOPMENTS

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 381212-03-9, M518101, Kt5224xshw, M5181, M-5181, 2-(((1s,3r,5z,7e,20s)-1,3-dihydroxy-9,10-secopregna-5,7,10(19),16-tetraen-20-yl)oxy)-n-(2,2,3,3,3-pentafluoropropyl)acetamide
    Molecular Formula
    C26H34F5NO4
    Molecular Weight
    519.5  g/mol
    InChI Key
    SVCSMAZYWOQCBW-NVJMFHFGSA-N
    FDA UNII
    KT5224XSHW
    Pefcalcitol has been investigated for the basic science of Psoriasis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(1S)-1-[(3aS,4E,7aS)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethoxy]-N-(2,2,3,3,3-pentafluoropropyl)acetamide
    2.1.2 InChI
    InChI=1S/C26H34F5NO4/c1-15-18(11-19(33)12-22(15)34)7-6-17-5-4-10-24(3)20(8-9-21(17)24)16(2)36-13-23(35)32-14-25(27,28)26(29,30)31/h6-8,16,19,21-22,33-34H,1,4-5,9-14H2,2-3H3,(H,32,35)/b17-6+,18-7-/t16-,19+,21-,22-,24+/m0/s1
    2.1.3 InChI Key
    SVCSMAZYWOQCBW-NVJMFHFGSA-N
    2.1.4 Canonical SMILES
    CC(C1=CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OCC(=O)NCC(C(F)(F)F)(F)F
    2.1.5 Isomeric SMILES
    C[C@@H](C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCC(=O)NCC(C(F)(F)F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    KT5224XSHW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 381212-03-9

    2. M518101

    3. Kt5224xshw

    4. M5181

    5. M-5181

    6. 2-(((1s,3r,5z,7e,20s)-1,3-dihydroxy-9,10-secopregna-5,7,10(19),16-tetraen-20-yl)oxy)-n-(2,2,3,3,3-pentafluoropropyl)acetamide

    7. Acetamide, 2-((1s)-1-((3as,7e,7as)-7-((2z)-((3s,5r)-3,5-dihydroxy-2-methylenecyclohexylidene)ethylidene)-3a,4,5,6,7,7a-hexahydro-3a-methyl-1h-inden-3-yl)ethoxy)-n-(2,2,3,3,3-pentafluoropropyl)-

    8. M-518101

    9. 2-[(1s)-1-[(3as,4e,7as)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3h-inden-1-yl]ethoxy]-n-(2,2,3,3,3-pentafluoropropyl)acetamide

    10. Pefcalcitol [inn]

    11. Pefcalcitol [usan:inn]

    12. Unii-kt5224xshw

    13. Pefcalcitol [jan]

    14. Pefcalcitol [usan]

    15. Pefcalcitol [who-dd]

    16. M 518101

    17. Pefcalcitol (jan/usan/inn)

    18. Schembl2677532

    19. Chembl3989862

    20. Dtxsid701098518

    21. Db11786

    22. M-5180

    23. Hy-19911

    24. Cs-0016943

    25. J3.665.950e

    26. D10565

    27. Q27282425

    28. 2-[(1s)-1-[(3as,7as)-7-[(7e)-2-[(2z,3s,5r)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-3a,4,5,6,7,7a-hexahydro-3a-methyl-1h-inden-3-yl]ethoxy]-n-(2,2,3,3,3-pentafluoropropyl)acetamide

    2.4 Create Date
    2007-06-26
    3 Chemical and Physical Properties
    Molecular Weight 519.5 g/mol
    Molecular Formula C26H34F5NO4
    XLogP33.5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass519.24079938 g/mol
    Monoisotopic Mass519.24079938 g/mol
    Topological Polar Surface Area78.8 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity955
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    • Privacy policy
    • Terms and conditions
    • Disclaimers
    • LinkedIn
    • Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.