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Substance Name: 7-(11-(4-Iodophenoxy)undecyl)-17-estradiol
RN: 132054-36-5
InChIKey: PUATYBXLOTXELQ-ZBOICZJLSA-N

Note

  • Accumulates in adrenals, uterus, ovaries with high affinity for estrogen receptor.

Molecular Formula

  • C35-H49-I-O3

Molecular Weight

  • 642.769
 
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Names and Synonyms

Name of Substance

  • 7-(11-(4-Iodophenoxy)undecyl)-17-estradiol

Synonyms

  • (125I)Ipue2
  • (7alpha,17beta)-7-(11-(4-(Iodo-125I)phenoxy)undecyl)estra-1,3,5(10)-triene-3,17-diol
  • 7alpha-(11-(4-(125I)Iodophenoxy)undecyl)-17beta-estradiol
  • IPUE2

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol, 7-(11-(4-(iodo-125I)phenoxy)undecyl)-, (7alpha,17beta)-

Registry Numbers

CAS Registry Number

  • 132054-36-5

System Generated Number

  • 0132054365

Structure Descriptors

InChI

1S/C35H49IO3/c1-35-21-20-31-30-17-14-28(37)24-26(30)23-25(34(31)32(35)18-19-33(35)38)11-9-7-5-3-2-4-6-8-10-22-39-29-15-12-27(36)13-16-29/h12-17,24-25,31-34,37-38H,2-11,18-23H2,1H3/t25-,31-,32+,33+,34-,35+/m1/s1/i36-2

InChIKey

PUATYBXLOTXELQ-ZBOICZJLSA-N

Smiles

c1cc2c(cc1O)C[C@@H](CCCCCCCCCCCOc1ccc(cc1)[125I])[C@@H]1[C@@H]2CC[C@@]2([C@H]1CC[C@@H]2O)C