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Substance Name: RU 58668
RN: 151555-47-4
InChIKey: SDCUWFRXMLQNCS-JGNCIJAKSA-N

Note

  • A steroidal antiestrogen; induces a long-term regression of human mammary MCF-7 tumors implanted in nude mice.

Molecular Formula

  • C34-H43-F5-O5-S

Molecular Weight

  • 658.765
 
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Names and Synonyms

Name of Substance

  • RU 58668

Synonyms

  • 11beta-(4-(5-((4,4,5,5,5-Pentafluoropentyl)sulfonyl)pentyloxy)phenyl)-estra-1,3,5(10)-triene,3,17beta-diol
  • RU 58 668

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol, 11-(4-((5-((4,4,5,5,5-pentafluoropentyl)sulfonyl)pentyl)oxy)phenyl)-, (11beta,17beta)-

Registry Numbers

CAS Registry Number

  • 151555-47-4

System Generated Number

  • 0151555474

Structure Descriptors

InChI

1S/C34H43F5O5S/c1-32-21-28(31-26-13-9-24(40)20-23(26)8-12-27(31)29(32)14-15-30(32)41)22-6-10-25(11-7-22)44-17-3-2-4-18-45(42,43)19-5-16-33(35,36)34(37,38)39/h6-7,9-11,13,20,27-31,40-41H,2-5,8,12,14-19,21H2,1H3/t27-,28?,29-,30-,31+,32-/m0/s1

InChIKey

SDCUWFRXMLQNCS-JGNCIJAKSA-N

Smiles

c1c(O)cc2CC[C@H]3[C@H]4[C@@](C[C@@H]([C@H]3c2c1)c1ccc(cc1)OCCCCCS(CCCC(C(F)(F)F)(F)F)(=O)=O)(C)[C@@H](O)CC4