Cas no 1597-96-2 (Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16b-methoxy-, 21-acetate (7CI,8CI))

Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16b-methoxy-, 21-acetate (7CI,8CI) structure
1597-96-2 structure
Product Name:Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16b-methoxy-, 21-acetate (7CI,8CI)
CAS No:1597-96-2
MF:C24H31FO7
MW:450.497151613235
CID:187317
PubChem ID:241349
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16b-methoxy-, 21-acetate (7CI,8CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16b-methoxy-, 21-acetate (7CI,8CI)
    • 9-Chloro 21-Acetyloxy Triamcinolone Acetonide
    • 9-Chloro Triamcinolone Acetonide 21-Acetate
    • A)-21-(Acetyloxy)-9-chloro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-pregna-1,4-diene-3,20-dione
    • A,16
    • NSC48632
    • 9-Fluoro-11,17-dihydroxy-16-methoxy-3,20-dioxopregna-1,4-dien-21-yl acetate
    • NSC-48632
    • 1597-96-2
    • DTXSID00936158
    • Inchi： 1S/C24H31FO7/c1-13(26)32-12-19(29)24(30)20(31-4)10-17-16-6-5-14-9-15(27)7-8-21(14,2)23(16,25)18(28)11-22(17,24)3/h7-9,16-18,20,28,30H,5-6,10-12H2,1-4H3/t16-,17-,18-,20-,21-,22-,23-,24+/m0/s1
    • InChI Key： WGTMXQCMJVUCBH-VJHLWZJQSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@@H]([C@](C(COC(C)=O)=O)([C@@]1(C)C[C@@H]2O)O)OC)=O)C

Computed Properties

  • Exact Mass: 450.20500
  • Monoisotopic Mass: 450.20538149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 5
  • Complexity: 927
  • 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: 110?2

Experimental Properties

  • PSA: 110.13000
  • LogP: 1.84540

Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16b-methoxy-, 21-acetate (7CI,8CI) Related Literature

1597-96-2 (Pregna-1,4-diene-3,20-dione,9-fluoro-11b,17,21-trihydroxy-16b-methoxy-, 21-acetate (7CI,8CI)) Related Products

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