QUETIAPINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H25N3O2S
Molecular Weight	383.507
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of QUETIAPINE

Structure Search

SMILES

OCCOCCN1CCN(CC1)C2=NC3=C(SC4=C2C=CC=C4)C=CC=C3

InChI

InChIKey=URKOMYMAXPYINW-UHFFFAOYSA-N

InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2

HIDE SMILES / InChI

Molecular Formula	C21H25N3O2S
Molecular Weight	383.507
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 `Sat Dec 16 17:23:10 UTC 2023` Edited by `admin` on `Sat Dec 16 17:23:10 UTC 2023`
Record UNII	BGL0JSY5SI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

QUETIAPINE

Official Name

English

QUETIAPINE [MI]

Common Name

English

quetiapine [INN]

Common Name

English

QUETIAPINE EXTENDED RELEASE

Common Name

English

Quetiapine [WHO-DD]

Common Name

English

QUETIAPINE [VANDF]

Common Name

English

ETHANOL, 2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YL-1-PIPERAZINYL)ETHOXY)-

Systematic Name

English

NORSIC

Brand Name

English

QUETIAPINE [HSDB]

Common Name

English

NSC-758918

Code

English

2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YLPIPERAZIN-1-YL)ETHOXY)ETHANOL

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66885

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

WHO-ATC

N05AH04

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

WHO-VATC

QN05AH04

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

LIVERTOX

NBK548616

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

NDF-RT

N0000175430

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

NCI_THESAURUS

C29710

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

Code System Code Type Description

LACTMED

Quetiapine

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

ChEMBL

CHEMBL716

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

SMS_ID

100000081102

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

MERCK INDEX

m9425

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

Merck Index

DRUG BANK

DB01224

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

EPA CompTox

DTXSID9023546

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

RXCUI

51272

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

RxNorm

DAILYMED

BGL0JSY5SI

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

EVMPD

SUB10192MIG

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

HSDB

7557

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

NCI_THESAURUS

C61917

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

INN

7467

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

DRUG CENTRAL

2337

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

IUPHAR

50

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

CHEBI

8707

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

MESH

C069541

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

CAS

111974-69-7

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

FDA UNII

BGL0JSY5SI

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

PUBCHEM

5002

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

NSC

758918

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

WIKIPEDIA

QUETIAPINE

Created by admin on Sat Dec 16 17:23:12 UTC 2023 , Edited by admin on Sat Dec 16 17:23:12 UTC 2023

PRIMARY

Related Record Type Details


					Q7A4S7HOP4

ALPHA-1B ADRENERGIC RECEPTOR

TARGET -> INHIBITOR

Qualification:

Ki

Amount:


					28XBT591QG

HISTAMINE H1 RECEPTOR

TARGET -> INHIBITOR

Qualification:

Ki

Amount:


					NQI5D806LC

5-HYDROXYTRYPTAMINE RECEPTOR 2A

TARGET -> INHIBITOR

Qualification:

Ki

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					LR0F81F33L

ALDEHYDE OXIDASE

METABOLIC ENZYME -> INHIBITOR

Qualification:

IC50

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Amount:


					19GBD6T9L7

D(2) DOPAMINE RECEPTOR

TARGET -> INHIBITOR

Qualification:

Ki

Amount:

Related Record Type Details


					HIZ2IDE7O4

7-HYDROXY QUETIAPINE S-OXIDE

METABOLITE -> PARENT

Amount:


					NB6I4M7RFP

7-HYDROXY-N-DESALKYLQUETIAPINE

METABOLITE ACTIVE -> PARENT

Comments:

relatively low concentrations in blood

Amount:


					V3H1ZVV9S6

METABOLITE ACTIVE -> PARENT

Interaction Type:

MAJOR

Amount:


					1CW92313VM

QUETIAPINE S-OXIDE

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Amount:


					LO2PHD1746

7-HYDROXYQUETIAPINE

METABOLITE ACTIVE -> PARENT

Comments:

relatively low concentrations in blood

Amount:


					5GWY87J9I4

DES-HYDROXYETHYL QUETIAPINE

METABOLITE -> PARENT

Amount:

Related Record Type Details


					BGL0JSY5SI

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC