DM-3412

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H29N3O4S
Molecular Weight	467.58
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1[C@@H](O)C2=C(NC1=O)C=C(OCCCCN3CCN(CC3)C4=C5C=CSC5=CC=C4)C=C2

InChI

InChIKey=NUEKDCUWSCLJMV-BJKOFHAPSA-N

InChI=1S/C25H29N3O4S/c29-23-18-7-6-17(16-20(18)26-25(31)24(23)30)32-14-2-1-9-27-10-12-28(13-11-27)21-4-3-5-22-19(21)8-15-33-22/h3-8,15-16,23-24,29-30H,1-2,9-14H2,(H,26,31)/t23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H29N3O4S
Molecular Weight	467.58
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:39:08 GMT 2023` Edited by `admin` on `Sat Dec 16 14:39:08 GMT 2023`
Record UNII	KZ4BDA7DHM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DM-3412

Common Name

English

(3R,4S)-7-(4-(4-(BENZOTHIOPHEN-4-YL)PIPERAZIN-1-YL)BUTOXY)-3,4-DIHYDROXY-3,4-DIHYDRO-1H-QUINOLIN-2-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

156596854

Created by admin on Sat Dec 16 14:39:08 GMT 2023 , Edited by admin on Sat Dec 16 14:39:08 GMT 2023

PRIMARY

FDA UNII

KZ4BDA7DHM

Created by admin on Sat Dec 16 14:39:08 GMT 2023 , Edited by admin on Sat Dec 16 14:39:08 GMT 2023

PRIMARY

Related Record Type Details


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BREXPIPRAZOLE

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Comments:

Found in humans.