Quetiapine

CAS Registry Number®

111974-69-7

CAS Name

Quetiapine

Molecular Formula

C21H25N3O2S

Molecular Mass

383.51

Cite this Page

Quetiapine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111974-69-7 (retrieved 2024-11-21) (CAS RN: 111974-69-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2

InChIKey

InChIKey=URKOMYMAXPYINW-UHFFFAOYSA-N

SMILES

C(COCCO)N1CCN(C=2C=3C(SC=4C(N2)=CC=CC4)=CC=CC3)CC1

Canonical SMILES

OCCOCCN1CCN(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-piperazinyl)ethoxy]-
  • Dibenzo[b,f][1,4]thiazepine, ethanol deriv.
  • 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
  • Quetiapine
  • Ketipinor

View All

Deleted or Replaced CAS Registry Numbers

264256-90-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration