(2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide

CAS Registry Number®

1611493-60-7

CAS Name

(2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide

Molecular Formula

C21H18F3N3O5

Molecular Mass

449.38

Cite this Page

(2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1611493-60-7 (retrieved 2024-11-21) (CAS RN: 1611493-60-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16?/m0/s1

InChIKey

InChIKey=SOLUWJRYJLAZCX-BBXPGFNESA-N

SMILES

O=C1N2C(CN3C1=C(O)C(=O)C(C(NCC4=C(F)C=C(F)C=C4F)=O)=C3)(O[C@]5(C[C@@]2(CC5)[H])[H])[H]

Canonical SMILES

O=C(NCC=1C(F)=CC(F)=CC1F)C2=CN3C(C(=O)N4C(OC5CCC4C5)C3)=C(O)C2=O

Other Names for this Substance

  • 2,5-Methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide, 2,3,4,5,7,9,13,13a-octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-, (2R,5S,13aR)-
  • (2R,5S,13aR)-2,3,4,5,7,9,13,13a-Octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide
  • Bictegravir
  • GS 9883

Deleted or Replaced CAS Registry Numbers

1616340-10-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration