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Substance Name: 16-Iodo-11-methoxyestradiol
RN: 104820-74-8
InChIKey: ZKXIUQUNJAKYCW-LMDPIGAJSA-N

Note

  • Labeled with 125I for estrogen-sensitive tissue imaging.

Molecular Formula

  • C19-H25-I-O3

Molecular Weight

  • 426.404
 
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Names and Synonyms

Name of Substance

  • 16-Iodo-11-methoxyestradiol

Synonyms

  • 16alpha-Iodo-11beta-methoxy-17beta-estradiol
  • IMOE

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol, 16-(iodo-125I)-11-methoxy-, (11beta,16alpha,17beta)-

Registry Numbers

CAS Registry Number

  • 104820-74-8

System Generated Number

  • 0104820748

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/i20-2

InChIKey

ZKXIUQUNJAKYCW-LMDPIGAJSA-N

Smiles

c1c(cc2CC[C@@H]3[C@@H](c2c1)[C@H](C[C@@]1([C@H]3C[C@H]([C@@H]1O)[125I])C)OC)O