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Substance Name: Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, monosodium salt, (11beta,16alpha)-
RN: 94135-37-2
InChIKey: DZWFFZQAQHUHBB-GTPWTDTCSA-M

Molecular Formula

  • C25-H31-F-O9.Na

Molecular Weight

  • 516.491
 
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Names and Synonyms

Synonym

  • EINECS 302-906-4

Systematic Name

  • Pregna-1,4-diene-3,20-dione, 21-(3-carboxy-1-oxopropoxy)-9-fluoro-11,16,17-trihydroxy-, monosodium salt, (11beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 94135-37-2

System Generated Number

  • 0094135372

Molecular Formulas

Molecular Formula

  • C25-H31-F-O9.Na

Molecular Formula Fragments

  • C25-H31-F-O9
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H31FO9.Na/c1-22-8-7-14(27)9-13(22)3-4-15-16-10-17(28)25(34,23(16,2)11-18(29)24(15,22)26)19(30)12-35-21(33)6-5-20(31)32;/h7-9,15-18,28-29,34H,3-6,10-12H2,1-2H3,(H,31,32);/q;+1/p-1/t15?,16?,17-,18+,22+,23+,24?,25+;/m1./s1

InChIKey

DZWFFZQAQHUHBB-GTPWTDTCSA-M

Smiles

[C@]12([C@]([C@@H](CC1C1C([C@@]3(C(=CC(=O)C=C3)CC1)C)([C@H](C2)O)F)O)(C(=O)COC(=O)CCC(=O)[O-])O)C.[Na+]