7-Hydroxyquetiapine

CAS Registry Number®

139079-39-3

CAS Name

7-Hydroxyquetiapine

Molecular Formula

C21H25N3O3S

Molecular Mass

399.51

Cite this Page

7-Hydroxyquetiapine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139079-39-3 (retrieved 2024-11-24) (CAS RN: 139079-39-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    219-221 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=VEGVCHRFYPFJFO-UHFFFAOYSA-N

SMILES

C(COCCO)N1CCN(C=2C=3C(SC=4C(N2)=CC=C(O)C4)=CC=CC3)CC1

Canonical SMILES

OC1=CC=C2N=C(C=3C=CC=CC3SC2=C1)N4CCN(CCOCCO)CC4

Other Names for this Substance

  • Dibenzo[b,f][1,4]thiazepin-7-ol, 11-[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazinyl]-
  • 11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepin-7-ol
  • ICI 214227
  • 7-Hydroxyquetiapine

CAS INSIGHTSTM
Hourglass and a clock