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Substance Name: Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)-
RN: 94135-39-4
InChIKey: SIKHUOWRLRCONQ-GUVJFHCYSA-L

Molecular Formula

  • C22-H30-Cl-O8-P.2Na

Molecular Weight

  • 532.8622
 
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Names and Synonyms

Synonym

  • EINECS 302-909-0

Systematic Name

  • Pregna-1,4-diene-3,20-dione, 9-chloro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11beta,16beta)-

Registry Numbers

CAS Registry Number

  • 94135-39-4

System Generated Number

  • 0094135394

Molecular Formulas

Molecular Formula

  • C22-H30-Cl-O8-P.2Na

Molecular Formula Fragments

  • C22-H30-Cl-O8-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H30ClO8P.2Na/c1-12-8-16-15-5-4-13-9-14(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;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15?,16?,17-,19-,20-,21?,22-;;/m0../s1

InChIKey

SIKHUOWRLRCONQ-GUVJFHCYSA-L

Smiles

[C@@]12(C(C3C([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C2)O)Cl)C[C@@H]([C@@]1(C(=O)COP(=O)([O-])[O-])O)C)C.[Na+].[Na+]