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Substance Name: Win 44577
RN: 98640-98-3
InChIKey: CPIBWHAJWLRDNO-JNIWZSOOSA-N

Molecular Weight

  • 446.563
 
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Names and Synonyms

Name of Substance

  • Win 44577

Synonyms

  • 2'-(4-Fluorophenyl)2'H-pregna-2,4-dien-20-yno(3,2c)pyrazol-11,17-diol
  • Win-44577

Systematic Name

  • 2'H-Pregna-2,4-dien-20-yno(3,2-c)pyrazole-11,17-diol, 2'-(4-fluorophenyl)-, (11beta,17alpha)-

Registry Numbers

CAS Registry Number

  • 98640-98-3

System Generated Number

  • 0098640983

Structure Descriptors

InChI

1S/C28H31FN2O2/c1-4-28(33)12-11-22-21-10-5-18-13-23-17(16-30-31(23)20-8-6-19(29)7-9-20)14-26(18,2)25(21)24(32)15-27(22,28)3/h1,6-9,13,16,21-22,24-25,32-33H,5,10-12,14-15H2,2-3H3/t21-,22-,24-,25+,26-,27-,28-/m0/s1

InChIKey

CPIBWHAJWLRDNO-JNIWZSOOSA-N

Smiles

c1cc(ccc1F)n1c2c(cn1)C[C@@]1([C@@H]3[C@@H](CCC1=C2)[C@H]1[C@@](C[C@@H]3O)([C@@](CC1)(O)C#C)C)C