Cas no 7332-27-6 (Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-[[(1R)-1-phenylethylidene]bis(oxy)]-, (11b,16a)-)

Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-[[(1R)-1-phenylethylidene]bis(oxy)]-, (11b,16a)- structure
7332-27-6 structure
Product Name:Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-[[(1R)-1-phenylethylidene]bis(oxy)]-, (11b,16a)-
CAS No:7332-27-6
MF:C29H33FO6
MW:496.567132711411
CID:568329
PubChem ID:11954283
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-[[(1R)-1-phenylethylidene]bis(oxy)]-, (11b,16a)- Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-[[(1R)-1-phenylethylidene]bis(oxy)]-, (11b,16a)-
    • AMCINAFIDE
    • (R)-9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetophenone
    • Amcinafide [USAN:INN]
    • D02887
    • SQ 15112
    • SureCN42819
    • UNII-F0Q1D55E29
    • 7332-27-6
    • Q27277487
    • F0Q1D55E29
    • PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11,21-DIHYDROXY-16,17-((1-PHENYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.(R))-
    • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16,17-((1-phenylethylidene)bis(oxy))-, (11beta,16alpha(R))-
    • AMCINAFIDE [INN]
    • SQ 15,112
    • SCHEMBL42819
    • Amcinafide (USAN/INN)
    • CHEMBL3989526
    • DTXSID90223549
    • Triamcinolone acetophenonide
    • (1S,2S,4R,6R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
    • TRIAMCINOLONE 16.ALPHA.,17.BETA.-ACETOPHENONIDE
    • AMCINAFIDE [USAN]
    • PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11,21-DIHYDROXY-16,17-(((1R)-1-PHENYLETHYLIDENE)BIS(OXY))-, (11.BETA.,16.ALPHA.)
    • SQ-15112
    • NSC-37641
    • Inchi： 1S/C29H33FO6/c1-25-12-11-19(32)13-18(25)9-10-20-21-14-24-29(23(34)16-31,26(21,2)15-22(33)28(20,25)30)36-27(3,35-24)17-7-5-4-6-8-17/h4-8,11-13,20-22,24,31,33H,9-10,14-16H2,1-3H3/t20-,21-,22-,24+,25-,26-,27+,28-,29+/m0/s1
    • InChI Key： HCKFPALGXKOOBK-NRYMJLQJSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3CC[C@H]1[C@@H]1C[C@@H]3[C@](C(CO)=O)([C@@]1(C)C[C@@H]2O)O[C@@](C1C=CC=CC=1)(C)O3)=O)C

Computed Properties

  • Exact Mass: 496.22611693g/mol
  • Monoisotopic Mass: 496.22611693g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 3
  • Complexity: 1050
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 93.1?2

Experimental Properties

  • Density: 1.353
  • Boiling Point: 650.507 ℃ at 760 mmHg
  • Flash Point: 347.214 ℃
  • Refractive Index: 1.623
  • PSA: 93.06000
  • LogP: 3.55560

Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-[[(1R)-1-phenylethylidene]bis(oxy)]-, (11b,16a)- Related Literature

Related Categories

7332-27-6 (Pregna-1,4-diene-3,20-dione,9-fluoro-11,21-dihydroxy-16,17-[[(1R)-1-phenylethylidene]bis(oxy)]-, (11b,16a)-) Related Products

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