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Substance Name: 9-Fluoro-2',16beta-dihydro-11beta,21-dihydroxypregna-1,4-dieno(17,16-c)pyrazole-3,20-dione 21-benzoate
RN: 72149-75-8
InChIKey: YWTIJHCSZXMGSE-SHDXIFLFSA-N

Molecular Formula

  • C29-H31-F-N2-O5

Molecular Weight

  • 506.5709
 
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Names and Synonyms

Synonym

  • EINECS 276-390-3

Systematic Name

  • 9-Fluoro-2',16beta-dihydro-11beta,21-dihydroxypregna-1,4-dieno(17,16-c)pyrazole-3,20-dione 21-benzoate

Registry Numbers

CAS Registry Number

  • 72149-75-8

System Generated Number

  • 0072149758

Structure Descriptors

InChI

1S/C29H31FN2O5/c1-26-11-10-20(33)12-18(26)8-9-21-22-13-19-15-31-32-29(19,27(22,2)14-23(34)28(21,26)30)24(35)16-37-25(36)17-6-4-3-5-7-17/h3-7,10-12,15,19,21-23,32,34H,8-9,13-14,16H2,1-2H3/t19-,21-,22-,23-,26-,27-,28-,29-/m0/s1

InChIKey

YWTIJHCSZXMGSE-SHDXIFLFSA-N

Smiles

C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(NN=C4)C(=O)COC(=O)c5ccccc5)CCC6=CC(=O)C=C[C@@]63C)F)O