1-[6-[[(17β)-3-Methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]-1H-pyrrole-2,5-dione

CAS Registry Number®

112648-68-7

CAS Name

1-[6-[[(17β)-3-Methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]-1H-pyrrole-2,5-dione

Molecular Formula

C29H40N2O3

Molecular Mass

464.64

Cite this Page

1-[6-[[(17β)-3-Methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]-1H-pyrrole-2,5-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112648-68-7 (retrieved 2024-11-21) (CAS RN: 112648-68-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1

InChIKey

InChIKey=LUFAORPFSVMJIW-ZRJUGLEFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC)=CC4)(CC1)[H])[H])(CC[C@@H]2NCCCCCCN5C(=O)C=CC5=O)[H]

Canonical SMILES

O=C1C=CC(=O)N1CCCCCCNC2CCC3C4CCC5=CC(OC)=CC=C5C4CCC23C

Other Names for this Substance

  • 1H-Pyrrole-2,5-dione, 1-[6-[[(17β)-3-methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]-
  • Estrane, 1H-pyrrole-2,5-dione deriv.
  • 1-[6-[[(17β)-3-Methoxyestra-1,3,5(10)-trien-17-yl]amino]hexyl]-1H-pyrrole-2,5-dione
  • U 73122

CAS INSIGHTSTM
Targeted protein degrader structure, illustration