Brexpiprazole

CAS Registry Number®

913611-97-9

CAS Name

Brexpiprazole

Molecular Formula

C25H27N3O2S

Molecular Mass

433.57

Cite this Page

Brexpiprazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=913611-97-9 (retrieved 2024-11-21) (CAS RN: 913611-97-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181.7-183.4 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H27N3O2S/c29-25-9-7-19-6-8-20(18-22(19)26-25)30-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-31-24/h3-10,17-18H,1-2,11-16H2,(H,26,29)

InChIKey

InChIKey=ZKIAIYBUSXZPLP-UHFFFAOYSA-N

SMILES

C(CCCOC=1C=C2C(=CC1)C=CC(=O)N2)N3CCN(C4=C5C(SC=C5)=CC=C4)CC3

Canonical SMILES

O=C1C=CC=2C=CC(OCCCCN3CCN(C=4C=CC=C5SC=CC54)CC3)=CC2N1

Other Names for this Substance

  • 2(1H)-Quinolinone, 7-[4-(4-benzo[b]thien-4-yl-1-piperazinyl)butoxy]-
  • 7-[4-(4-Benzo[b]thien-4-yl-1-piperazinyl)butoxy]-2(1H)-quinolinone
  • Brexpiprazole
  • OPC 34712
  • 7-[4-(4-(Benzo[b]thien-4-yl)-piperazin-1-yl)butoxy]-1H-quinolin-2-one

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration