Cas no 5919-89-1 (Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11b,16b)-)

Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11b,16b)- structure
5919-89-1 structure
Product Name:Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11b,16b)-
CAS No:5919-89-1
MF:C29H39FO7
MW:518.614173173904
CID:376058
PubChem ID:111111
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11b,16b)- Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11b,16b)-
    • (E)-2-cyano-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
    • 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-acetate 17-valerate
    • (11beta,16beta)-21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate
    • UNII-F069Y6XCZ6
    • BETAMETHASONE 17-VALERATE 21-ACETATE
    • 5919-89-1
    • EINECS 227-644-7
    • 21-(Acetyloxy)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate
    • Betamethasone valeroacetate
    • PREGNA-1,4-DIENE-3,20-DIONE, 21-(ACETYLOXY)-9-FLUORO-11-HYDROXY-16-METHYL-17-((1-OXOPENTYL)OXY)-, (11.BETA.,16.BETA.)-
    • DTXSID80974619
    • PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYL-, 21-ACETATE 17-VALERATE
    • F069Y6XCZ6
    • BETAMETHASONE VALEROACETATE [WHO-DD]
    • NS00047959
    • Q27277463
    • Inchi： 1S/C29H39FO7/c1-6-7-8-25(35)37-29(24(34)16-36-18(3)31)17(2)13-22-21-10-9-19-14-20(32)11-12-26(19,4)28(21,30)23(33)15-27(22,29)5/h11-12,14,17,21-23,33H,6-10,13,15-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1
    • InChI Key： QSZKFXMOBKKROF-YCUXZELOSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@H](C)[C@](C(COC(C)=O)=O)([C@@]1(C)C[C@@H]2O)OC(CCCC)=O)=O)C

Computed Properties

  • Exact Mass: 518.26798174g/mol
  • Monoisotopic Mass: 518.26798174g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 528
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 3.8
  • Topological Polar Surface Area: 107?2

Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11b,16b)- Related Literature

5919-89-1 (Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11b,16b)-) Related Products

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