2-(β-D-Glucopyranosyloxy)-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

CAS Registry Number®

17622-26-3

CAS Name

2-(β-D-Glucopyranosyloxy)-7-methoxy-2H-1,4-benzoxazin-3(4H)-one

Molecular Formula

C15H19NO9

Molecular Mass

357.31

Cite this Page

2-(β-D-Glucopyranosyloxy)-7-methoxy-2H-1,4-benzoxazin-3(4H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17622-26-3 (retrieved 2024-11-22) (CAS RN: 17622-26-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-235 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15?/m1/s1

InChIKey

InChIKey=PMBZSEOAOIYRMW-XGHDNVSXSA-N

SMILES

O(C1OC=2C(NC1=O)=CC=C(OC)C2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C1NC2=CC=C(OC)C=C2OC1OC3OC(CO)C(O)C(O)C3O

Other Names for this Substance

  • 2H-1,4-Benzoxazin-3(4H)-one, 2-(β-D-glucopyranosyloxy)-7-methoxy-
  • Glucopyranoside, 3,4-dihydro-7-methoxy-3-oxo-2H-1,4-benzoxazin-2-yl
  • 2-(β-D-Glucopyranosyloxy)-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
  • 2-(2-Hydroxy-7-methoxy-1,4(2H)-benzoxazin-3(4H)-one)-β-D-glucopyranoside

CAS INSIGHTSTM
Targeted protein degrader structure, illustration