Quetiapine fumarate

CAS Registry Number®

111974-72-2

CAS Name

Quetiapine fumarate

Molecular Formula

C21H25N3O2S.1/2C4H4O4

Cite this Page

Quetiapine fumarate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111974-72-2 (retrieved 2024-11-24) (CAS RN: 111974-72-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H25N3O2S.C4H4O4/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;5-3(6)1-2-4(7)8/h1-8,25H,9-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

InChIKey=VRHJBWUIWQOFLF-WLHGVMLRSA-N

SMILES

C(COCCO)N1CCN(C=2C=3C(SC=4C(N2)=CC=CC4)=CC=CC3)CC1.C(=C/C(O)=O)\C(O)=O

Canonical SMILES

O=C(O)C=CC(=O)O.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]-, (2E)-2-butenedioate (2:1)
  • Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (E)-2-butenedioate (2:1) (salt)
  • Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, (2E)-2-butenedioate (2:1) (salt)
  • Dibenzo[b,f][1,4]thiazepine, ethanol deriv.
  • ICI 204636

View All

CAS INSIGHTSTM
Hourglass and a clock