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Substance Name: Ketononestrol aziridine
RN: 110576-20-0
InChIKey: TZMSUYNFLCWOOM-DDVMIGOSSA-N

Note

  • Estrogenic affinity label for the estrogen receptor.

Molecular Formula

  • C23-H29-N-O3

Molecular Weight

  • 367.486
 
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Names and Synonyms

Name of Substance

  • Ketononestrol aziridine

Synonym

  • 1-(N-Aziridinyl)-6,7-bis(4-hydroxyphenyl)-5-nonanone

Systematic Name

  • 5-Nonanone, 1-(2-aziridinyl)-6,7-bis(4-hydroxyphenyl)-, (R*,S*)-

Registry Numbers

CAS Registry Number

  • 110576-20-0

System Generated Number

  • 0110576200

Structure Descriptors

InChI

1S/C23H29NO3/c1-2-21(16-7-11-19(25)12-8-16)23(17-9-13-20(26)14-10-17)22(27)6-4-3-5-18-15-24-18/h7-14,18,21,23-26H,2-6,15H2,1H3/t18-,21?,23-/m1/s1

InChIKey

TZMSUYNFLCWOOM-DDVMIGOSSA-N

Smiles

C(CCCC([C@@H]([C@@H](CC)c1ccc(cc1)O)c1ccc(cc1)O)=O)[C@H]1NC1