OPC-54050

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H27N3O4S
Molecular Weight	465.565
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O=C1NC2=C(C=C1)C=CC(OCCCCN3CCN(CC3)C4=CC=CC5=C4C=CS5(=O)=O)=C2

InChI

InChIKey=MIOKOILCQKPJKT-UHFFFAOYSA-N

InChI=1S/C25H27N3O4S/c29-25-9-7-19-6-8-20(18-22(19)26-25)32-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-33(24,30)31/h3-10,17-18H,1-2,11-16H2,(H,26,29)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

OPC-54050

Common Name

English

7-(4-(4-(1,1-DIOXOBENZOTHIOPHEN-4-YL)PIPERAZIN-1-YL)BUTOXY)-1H-QUINOLIN-2-ONE

Systematic Name

English

2(1H)-QUINOLINONE, 7-(4-(4-(1,1-DIOXIDOBENZO(B)THIEN-4-YL)-1-PIPERAZINYL)BUTOXY)-

Systematic Name

English

Code System Code Type Description

FDA UNII

BI85GOS9T4

Created by admin on Sat Dec 16 10:24:53 GMT 2023 , Edited by admin on Sat Dec 16 10:24:53 GMT 2023

PRIMARY

PUBCHEM

44255945

Created by admin on Sat Dec 16 10:24:53 GMT 2023 , Edited by admin on Sat Dec 16 10:24:53 GMT 2023

PRIMARY

CAS

1191900-59-0

Created by admin on Sat Dec 16 10:24:53 GMT 2023 , Edited by admin on Sat Dec 16 10:24:53 GMT 2023

PRIMARY

PARENT (METABOLITE LESS ACTIVE)


					2J3YBM1K8C

BREXPIPRAZOLE

SUBSTANCE RECORD


					BI85GOS9T4

OPC-54050