loader
Please Wait
Applying Filters...

Bora CDMO Bora CDMO

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 14622-47-0, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 14622-47-0

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 981-34-0, 16-beta methyl epoxide, (4as,4bs,5as,6as,7r,8s,9as,9bs)-7-hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4ah)-one, M9ay9bsi41, 9beta,11beta-epoxy-17alpha,21-dihydroxy-16beta-methylene-pregna-1,4-diene-3,20-dione, 9beta,11beta-epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
    Molecular Formula
    C22H28O5
    Molecular Weight
    372.5  g/mol
    InChI Key
    GBDXNHBVYAMODG-DEGNENOVSA-N
    FDA UNII
    M9AY9BSI41
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
    2.1.2 InChI
    InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,18-,19-,20-,21-,22+/m0/s1
    2.1.3 InChI Key
    GBDXNHBVYAMODG-DEGNENOVSA-N
    2.1.4 Canonical SMILES
    CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)CO)O)C)C
    2.1.5 Isomeric SMILES
    C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)CO)O)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    M9AY9BSI41
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 981-34-0

    2. 16-beta Methyl Epoxide

    3. (4as,4bs,5as,6as,7r,8s,9as,9bs)-7-hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4ah)-one

    4. M9ay9bsi41

    5. 9beta,11beta-epoxy-17alpha,21-dihydroxy-16beta-methylene-pregna-1,4-diene-3,20-dione

    6. 9beta,11beta-epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione

    7. (9beta,11beta,16beta)-9,11-epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

    8. (1s,2s,10s,11s,13s,14r,15s,17s)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one

    9. Einecs 213-563-4

    10. Unii-m9ay9bsi41

    11. 9,11?-epoxy-17,21-dihydroxy-16?-methyl-9?-pregna-1,4-diene-3,20-dione

    12. 16-beta-methyl Epoxide

    13. Schembl5262836

    14. 9

    15. A,11

    16. A-epoxy-17,21-dihydroxy-16

    17. A-methylpregna-1,4-diene-3,20-dione

    18. (11alpha,16alpha)-9,11-epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

    19. Dtxsid601020538

    20. 14622-47-0

    21. Amy27801

    22. Zinc6066702

    23. Mfcd09038712

    24. Akos017343721

    25. Cs-w006439

    26. As-17685

    27. Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-16-methyl-, (9.beta.,11.beta.,16.beta.)-

    28. Betamethasone Impurity E [ep Impurity]

    29. C77355

    30. 981m340

    31. A855442

    32. W-100093

    33. Q27283711

    34. Beclomethasone Dipropionate Impurity R [ep Impurity]

    35. 9 Beta ,11 Beta -epoxy-17,21-dihydroxy-16 Beta -methylpregna-1,4-diene-3,20-dione

    36. 16alpha-methyl Epoxide(db-11); 17alpha,21-dihydroxy-9alpha,11alpha,epoxy-16alpha-methylpregn-1,4-diene-3,20-dione

    37. 9,11.beta.-epoxy-17,21-dihydroxy-16.beta.-methyl-9.beta.-pregna-1,4-diene-3,20-dione

    38. 9.beta.-pregna-1,4-diene-3,20-dione, 9,11.beta.-epoxy-17,21-dihydroxy-16.beta.-methyl-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 372.5 g/mol
    Molecular Formula C22H28O5
    XLogP32
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass372.19367399 g/mol
    Monoisotopic Mass372.19367399 g/mol
    Topological Polar Surface Area87.1 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity814
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY