Quetiapine, open ring-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H27N3O3S
Molecular Weight	401.522
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=C(SC2=C(C=CC=C2)C(=O)N3CCN(CCOCCO)CC3)C=CC=C1

InChI

InChIKey=JPBFGXQLPAVCOY-UHFFFAOYSA-N

InChI=1S/C21H27N3O3S/c22-18-6-2-4-8-20(18)28-19-7-3-1-5-17(19)21(26)24-11-9-23(10-12-24)13-15-27-16-14-25/h1-8,25H,9-16,22H2

HIDE SMILES / InChI

Molecular Formula	C21H27N3O3S
Molecular Weight	401.522
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:24:00 GMT 2025` Edited by `admin` on `Tue Apr 01 16:24:00 GMT 2025`
Record UNII	DKL8NTR9Y4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Quetiapine, open ring-

Common Name

English

[2-[(2-aminophenyl)sulfanyl]phenyl][4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone

Preferred Name

English

QUETIAPINE FUMARATE IMPURITY F [EP IMPURITY]

Common Name

English

METHANONE, (2-((2-AMINOPHENYL)THIO)PHENYL)(4-(2-(2-HYDROXYETHOXY)ETHYL)-1-PIPERAZINYL)-

Systematic Name

English

Code System Code Type Description

CAS

848814-27-7

Created by admin on Tue Apr 01 16:24:00 GMT 2025 , Edited by admin on Tue Apr 01 16:24:00 GMT 2025

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PUBCHEM

11338588

Created by admin on Tue Apr 01 16:24:00 GMT 2025 , Edited by admin on Tue Apr 01 16:24:00 GMT 2025

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FDA UNII

DKL8NTR9Y4

Created by admin on Tue Apr 01 16:24:00 GMT 2025 , Edited by admin on Tue Apr 01 16:24:00 GMT 2025

PRIMARY

Related Record Type Details


					2S3PL1B6UJ

Quetiapine Fumarate

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: