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Substance Name: RU 42698
RN: 105012-15-5
InChIKey: ULLTWLWXPJPTQG-QYQUYBGJSA-N

Note

  • A metabolite of RU 486.

Molecular Formula

  • C29-H35-N-O3

Molecular Weight

  • 445.599
 
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Names and Synonyms

Name of Substance

  • RU 42698

Synonyms

  • (11beta,17beta)-11-(4-(Dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxy-1-propynyl)estra-4,9-dien-3-one
  • RU-42698

Systematic Name

  • Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxy-1-propynyl)-, (11beta,17beta)-

Registry Numbers

CAS Registry Number

  • 105012-15-5

System Generated Number

  • 0105012155

Structure Descriptors

InChI

1S/C29H35NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,7,10-13,15-16,18H2,1-3H3/t24-,25+,26-,28-,29+/m0/s1

InChIKey

ULLTWLWXPJPTQG-QYQUYBGJSA-N

Smiles

C1(CCC2=C3[C@H](C[C@@]4([C@](CC[C@@H]4[C@@H]3CCC2=C1)(C#CCO)O)C)c1ccc(cc1)N(C)C)=O