16α-Iodo-E2

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What is 16α-Iodo-E2?

16α-Iodo-E2 structure
  • It is a synthetic, steroidal, potent estrogen.
  • IUPAC Name: (8R,9S,13S,14S,16R,17R)-16-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • InChI: InChI=1S/C18H23IO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
  • InChI Key: SSYGGPAGDDGXAF-ZXXIGWHRSA-N
  • Canonical SMILES: CC12CCC3C(C1CC(C2O)I)CCC4=C3C=CC(=C4)O
  • Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)I)CCC4=C3C=CC(=C4)O
  • Molecular formula: C18H23IO2
  • Molecular weight: 398.3 g·mol−1
  • PubChem CID: 67087
  • Synonyms:
  1. UNII-45FQ48B1OQ
  2. 45FQ48B1OQ
  3. 16alpha-iodo-17beta-Estradiol
  4. 16-Iodoestradiol
  5. 16alphaIE2
  6. 16alpha-Iodoestradiol
  7. (125I)-16alpha-Iodo-17beta-estradiol
  8. 7450-34-2
  9. CHEMBL342892
  10. SCHEMBL11046757
  11. DTXSID00275695
  12. 16alpha-Iodo-3,17beta-estradiol
  13. ZINC5764475
  14. Estra-1,3,5(10)-triene-3,17-diol, 16-iodo-, (16alpha,17beta)-
  15. (8R,9S,13S,14S,16R,17R)-16-iodo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  16. 71765-94-1

[1]

References

  1. National Center for Biotechnology Information (2021). PubChem Compound Summary for CID 67087. Retrieved August 4, 2021 from [1].


 

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