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Substance Name: 9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate), compound with N,N'-dibenzylethane-1,2-diamine (1:1)
RN: 40006-49-3
InChIKey: RPWDHCRSSQJFQD-VYHYIVANSA-N

Molecular Formula

  • C22-H30-F-O8-P.C16-H20-N2

Molecular Weight

  • 712.791
 
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Names and Synonyms

Synonym

  • EINECS 254-747-4

Systematic Name

  • 9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate), compound with N,N'-dibenzylethane-1,2-diamine (1:1)

Registry Numbers

CAS Registry Number

  • 40006-49-3

System Generated Number

  • 0040006493

Molecular Formulas

Molecular Formula

  • C22-H30-F-O8-P.C16-H20-N2

Molecular Formula Fragments

  • C16-H20-N2
  • C22-H30-F-O8-P
  • COMPONENT

Structure Descriptors

InChI

1S/C22H30FO8P.C16H20N2/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;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);1-10,17-18H,11-14H2/t12-,15-,16-,17-,19-,20-,21?,22-;/m0./s1

InChIKey

RPWDHCRSSQJFQD-VYHYIVANSA-N

Smiles

[C@@]12([C@H]([C@H]3C([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C2)O)F)C[C@@H]([C@@]1(C(=O)COP(=O)(O)O)O)C)C.N(Cc1ccccc1)CCNCc1ccccc1