Quetiapine N-oxide

CAS Registry Number®

1076199-40-0

CAS Name

Quetiapine N-oxide

Molecular Formula

C21H25N3O3S

Molecular Mass

399.51

Cite this Page

Quetiapine N-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1076199-40-0 (retrieved 2024-11-22) (CAS RN: 1076199-40-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H25N3O3S/c25-14-16-27-15-13-24(26)11-9-23(10-12-24)21-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2

InChIKey

InChIKey=VVBXDYFGQNNTDS-UHFFFAOYSA-N

SMILES

C(COCCO)N1(=O)CCN(C=2C=3C(SC=4C(N2)=CC=CC4)=CC=CC3)CC1

Canonical SMILES

O=N1(CCOCCO)CCN(C2=NC=3C=CC=CC3SC=4C=CC=CC42)CC1

Other Names for this Substance

  • Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-oxido-1-piperazinyl)ethoxy]-
  • 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-oxido-1-piperazinyl)ethoxy]ethanol
  • Quetiapine N-oxide

CAS INSIGHTSTM
Targeted protein degrader structure, illustration