Cas no 3841-11-0 (Androsta-1,4-dien-3-one,9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxopropyl)-, (11b,17a)-)

Androsta-1,4-dien-3-one,9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxopropyl)-, (11b,17a)- structure
3841-11-0 structure
Product Name:Androsta-1,4-dien-3-one,9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxopropyl)-, (11b,17a)-
CAS No:3841-11-0
MF:C22H29FO5
MW:392.461070775986
CID:315300
PubChem ID:56841872
Update Time:2025-04-19

Androsta-1,4-dien-3-one,9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxopropyl)-, (11b,17a)- Chemical and Physical Properties

Names and Identifiers

    • Androsta-1,4-dien-3-one,9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxopropyl)-, (11b,17a)-
    • (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-[(2S)-2-hydroxypropanoyl]-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    • Fluperolone
    • Fluperolone [INN:BAN]
    • FLUPEROLONE [INN]
    • DTXSID60191746
    • 3841-11-0
    • DB13491
    • Androsta-1,4-dien-3-one, 9-fluoro-11.beta.,17.alpha.-dihydroxy-17-lactoyl-
    • Androsta-1,4-dien-3-one, 9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxopropyl)-, (11.beta.,17.alpha.)-
    • S33056JLS5
    • UNII-S33056JLS5
    • Q27288511
    • 9-FLUORO-11.BETA.,17.ALPHA.-DIHYDROXY-17-(S)-LACTOYLANDROSTA-1,4-DIEN-3-ONE
    • FLUPEROLONE [WHO-DD]
    • Inchi： 1S/C22H29FO5/c1-12(24)18(27)21(28)9-7-15-16-5-4-13-10-14(25)6-8-19(13,2)22(16,23)17(26)11-20(15,21)3/h6,8,10,12,15-17,24,26,28H,4-5,7,9,11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
    • InChI Key： SLVCCRYLKTYUQP-DVTGEIKXSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1CC[C@](C([C@H](C)O)=O)([C@@]1(C)C[C@@H]2O)O)=O)C

Computed Properties

  • Exact Mass: 392.19990218g/mol
  • Monoisotopic Mass: 392.19990218g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 805
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 94.8?2

Androsta-1,4-dien-3-one,9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxopropyl)-, (11b,17a)- Related Literature

3841-11-0 (Androsta-1,4-dien-3-one,9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxopropyl)-, (11b,17a)-) Related Products

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