rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one

CAS Registry Number®

75992-53-9

CAS Name

rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one

Molecular Formula

C11H13NO4

Molecular Mass

223.23

Cite this Page

rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75992-53-9 (retrieved 2024-11-18) (CAS RN: 75992-53-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H13NO4/c1-12-11(14)16-10-8-6-3-2-5(4-6)7(8)9(13)15-10/h2-3,5-8,10H,4H2,1H3,(H,12,14)/t5-,6+,7-,8+,10-/m1/s1

InChIKey

InChIKey=ZMXUEEVRCMPQPF-IPOBJWQNSA-N

SMILES

O(C(NC)=O)[C@@H]1[C@@]2([C@@]([C@]3(C[C@@]2(C=C3)[H])[H])(C(=O)O1)[H])[H]

Canonical SMILES

O=C(OC1OC(=O)C2C3C=CC(C3)C12)NC

Other Names for this Substance

  • 4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-3-[[(methylamino)carbonyl]oxy]-, (3R,3aS,4R,7S,7aR)-rel-
  • 4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-3-[[(methylamino)carbonyl]oxy]-, (3α,3aα,4α,7α,7aα)-
  • rel-(3R,3aS,4R,7S,7aR)-3a,4,7,7a-Tetrahydro-3-[[(methylamino)carbonyl]oxy]-4,7-methanoisobenzofuran-1(3H)-one
  • Lu 253
  • Moxadolen

CAS INSIGHTSTM
Targeted protein degrader structure, illustration