(16α,17β)-16-(Fluoro-18F)estra-1,3,5(10)-triene-3,17-diol

CAS Registry Number®

94153-53-4

CAS Name

(16α,17β)-16-(Fluoro-18F)estra-1,3,5(10)-triene-3,17-diol

Molecular Formula

C18H23FO2

Cite this Page

(16α,17β)-16-(Fluoro-18F)estra-1,3,5(10)-triene-3,17-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94153-53-4 (retrieved 2024-11-22) (CAS RN: 94153-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H23FO2/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/i19-1

InChIKey

InChIKey=KDLLNMRYZGUVMA-ZYMZXAKXSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(O)=CC4)(CC1)[H])[H])(C[C@@H]([18F])[C@@H]2O)[H]

Canonical SMILES

FC1CC2C3CCC4=CC(O)=CC=C4C3CCC2(C)C1O

Other Names for this Substance

  • Estra-1,3,5(10)-triene-3,17-diol, 16-(fluoro-18F)-, (16α,17β)-
  • (16α,17β)-16-(Fluoro-18F)estra-1,3,5(10)-triene-3,17-diol
  • 16α-[18F]Fluoroestradiol
  • 16α-[18F]Fluoro-17β-estradiol
  • 16α-[18F]Fluoroestradiol

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration