3-Cyanatoestra-1,3,5(10)-trien-17-one

CAS Registry Number®

23623-36-1

CAS Name

3-Cyanatoestra-1,3,5(10)-trien-17-one

Molecular Formula

C19H21NO2

Molecular Mass

295.38

Cite this Page

3-Cyanatoestra-1,3,5(10)-trien-17-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23623-36-1 (retrieved 2024-11-22) (CAS RN: 23623-36-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H21NO2/c1-19-9-8-15-14-5-3-13(22-11-20)10-12(14)2-4-16(15)17(19)6-7-18(19)21/h3,5,10,15-17H,2,4,6-9H2,1H3/t15-,16-,17+,19+/m1/s1

InChIKey

InChIKey=OIOQBNDENVAFEU-VXNCWWDNSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC#N)=CC4)(CC1)[H])[H])(CCC2=O)[H]

Canonical SMILES

N#COC1=CC=C2C(=C1)CCC3C2CCC4(C(=O)CCC34)C

Other Names for this Substance

  • Estra-1,3,5(10)-trien-17-one, 3-cyanato-
  • 3-Cyanatoestra-1,3,5(10)-trien-17-one
  • Estrone cyanate
  • d-Estrone 3-cyanate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration