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Substance Name: 11-Methoxy-16-iodoestradiol
RN: 104842-16-2
InChIKey: ZKXIUQUNJAKYCW-RUOITVIXSA-N

Note

  • Useful imaging agent for detecting estrogen receptor containing tumors.

Molecular Formula

  • C19-H25-I-O3

Molecular Weight

  • 428.303
 
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Names and Synonyms

Name of Substance

  • 11-Methoxy-16-iodoestradiol

Synonyms

  • 11-ME(2)
  • 11beta-Methoxy-16alpha-123-I-iodoestradiol

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol, 16-iodo-11-methoxy-, (11beta,16alpha,17beta)-

Registry Numbers

CAS Registry Number

  • 104842-16-2

System Generated Number

  • 0104842162

Structure Descriptors

InChI

1S/C19H25IO3/c1-19-9-16(23-2)17-12-6-4-11(21)7-10(12)3-5-13(17)14(19)8-15(20)18(19)22/h4,6-7,13-18,21-22H,3,5,8-9H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1

InChIKey

ZKXIUQUNJAKYCW-RUOITVIXSA-N

Smiles

c1c(cc2CC[C@@H]3[C@@H](c2c1)[C@H](C[C@@]1([C@H]3C[C@H]([C@@H]1O)I)C)OC)O