Cas no 58497-00-0 (Pregna-1,4-diene-3,20-dione,6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxopropoxy)-,(6a,11b,16a)-)

Pregna-1,4-diene-3,20-dione,6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxopropoxy)-,(6a,11b,16a)- structure
58497-00-0 structure
Product Name:Pregna-1,4-diene-3,20-dione,6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxopropoxy)-,(6a,11b,16a)-
CAS No:58497-00-0
MF:C27H34F2O7
MW:508.55147600174
CID:368017
PubChem ID:9806281
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxopropoxy)-,(6a,11b,16a)- Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxopropoxy)-,(6a,11b,16a)-
    • 6alpha,9-difluoro-11beta-hydroxy-16alpha,17-[isopropylidenebis(oxy)]pregna-1,4-diene-3,20-dione 21-propionate
    • Procinonide
    • RS-2362
    • 6alpha,9-Difluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone, 21-propionate
    • PROCINONIDE [MART.]
    • CHEMBL2106554
    • Procinonide [USAN:INN]
    • PREGNA-1,4-DIENE-3,20-DIONE, 6,9-DIFLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-21-(1-OXOPROPOXY)-, (6.ALPHA.,11.BETA.,16.ALPHA)-
    • Procinonida [INN-Spanish]
    • Procinonida
    • PROCINONIDE [WHO-DD]
    • DTXSID501024163
    • 6alpha,9-Difluoro-11beta-hydroxy-16alpha,17-(isopropylidenebis(oxy))pregna-1,4-diene-3,20-dione 21-propionate
    • EINECS 261-289-9
    • PROCINONIDE [INN]
    • SCHEMBL8410
    • Procinonidum
    • Q27275923
    • Fluocinolone acetonide 21-propionate
    • UNII-D04S7VLM8Q
    • [2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] propanoate
    • PROCINONIDE [USAN]
    • 58497-00-0
    • D05616
    • Procinonide (USAN/INN)
    • Procinonidum [INN-Latin]
    • Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-21-(1-oxopropoxy)-, (6alpha,11beta,16alpha)-
    • D04S7VLM8Q
    • Inchi： 1S/C27H34F2O7/c1-6-22(33)34-13-20(32)27-21(35-23(2,3)36-27)11-15-16-10-18(28)17-9-14(30)7-8-24(17,4)26(16,29)19(31)12-25(15,27)5/h7-9,15-16,18-19,21,31H,6,10-13H2,1-5H3/t15-,16-,18-,19-,21+,24-,25-,26-,27+/m0/s1
    • InChI Key： UBOIMZIXNXGQOH-RTWVSBIPSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3[C@H](C[C@H]1[C@@H]1C[C@@H]3[C@](C(COC(CC)=O)=O)([C@@]1(C)C[C@@H]2O)OC(C)(C)O3)F)=O)C

Computed Properties

  • Exact Mass: 508.22700
  • Monoisotopic Mass: 508.227
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 5
  • Complexity: 1080
  • 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: 3.7
  • Topological Polar Surface Area: 99.1A^2

Experimental Properties

  • Density: 1.32
  • Boiling Point: 600.6°Cat760mmHg
  • Flash Point: 317°C
  • Refractive Index: 1.557
  • PSA: 99.13000
  • LogP: 3.32770

Pregna-1,4-diene-3,20-dione,6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxopropoxy)-,(6a,11b,16a)- Related Literature

58497-00-0 (Pregna-1,4-diene-3,20-dione,6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-21-(1-oxopropoxy)-,(6a,11b,16a)-) Related Products

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