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Substance Name: RU 42848
RN: 104004-92-4
UNII: CN65R36QDD
InChIKey: MIPBCIAEOBOEKD-YEEPMTPTSA-N

Note

  • A metabolite of RU 486.

Molecular Formula

  • C27-H31-N-O2

Molecular Weight

  • 401.5469
 
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Names and Synonyms

Name of Substance

  • RU 42848

Synonyms

  • RU-42848
  • UNII-CN65R36QDD

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104004-92-4

FDA UNII

  • CN65R36QDD

System Generated Number

  • 0104004924

Structure Descriptors

InChI

1S/C27H31NO2/c1-3-13-27(30)14-12-24-22-10-6-18-15-20(29)9-11-21(18)25(22)23(16-26(24,27)2)17-4-7-19(28)8-5-17/h4-5,7-8,15,22-24,30H,6,9-12,14,16,28H2,1-2H3/t22-,23+,24-,26-,27-/m0/s1

InChIKey

MIPBCIAEOBOEKD-YEEPMTPTSA-N

Smiles

C1C(=O)C=C2C(=C3[C@@H](CC2)[C@H]2[C@](C[C@@H]3c3ccc(cc3)N)([C@](CC2)(O)C#CC)C)C1