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Substance Name: Dexafort
RN: 60593-91-1
InChIKey: ATCFOJOHFDPQLR-LEMWSMFWSA-L

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C31-H37-F-O6.C22-H30-F-O8-P.2Na

Molecular Weight

  • 1041.0325
 
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Names and Synonyms

Results Name

  • Dexafort

Synonym

  • Dexafort

Systematic Name

  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(1-oxo-3-phenylpropoxy)-, (11-beta,16-alpha)-, mixt. with (11-beta,16-alpha)-9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)pregna-1,4-diene-3,20-dione disodium salt

Registry Numbers

CAS Registry Number

  • 60593-91-1

System Generated Number

  • 0060593911

Molecular Formulas

Molecular Formula

  • C31-H37-F-O6.C22-H30-F-O8-P.2Na

Molecular Formula Fragments

  • C22-H30-F-O8-P
  • C31-H37-F-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H37FO6.C22H30FO8P.2Na/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20;1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3;6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;;2*+1/p-2/t19-,23+,24+,25+,28+,29+,30?,31+;12-,15?,16?,17+,19+,20+,21?,22+;;/m11../s1

InChIKey

ATCFOJOHFDPQLR-LEMWSMFWSA-L

Smiles

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)CCc5ccccc5)O)C)O)F)C.C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]