CETIRIZINE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H25ClN2O3
Molecular Weight	388.888
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CETIRIZINE

Structure Search

SMILES

OC(=O)COCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=ZKLPARSLTMPFCP-UHFFFAOYSA-N

InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)

HIDE SMILES / InChI

Molecular Formula	C21H25ClN2O3
Molecular Weight	388.888
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:26:53 UTC 2023` Edited by `admin` on `Fri Dec 15 16:26:53 UTC 2023`
Record UNII	YO7261ME24
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CETIRIZINE

Official Name

English

CETIRIZINE [MI]

Common Name

English

(±)-(2-(4-(P-CHLORO-A-PHENYLBENZYL)-1-PIPERAZINYL)ETHOXY)ACETIC ACID

Common Name

English

CETIRIZINE [HSDB]

Common Name

English

AC-170

Code

English

cetirizine [INN]

Common Name

English

Cetirizine [WHO-DD]

Common Name

English

ACETIC ACID, (2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)-1-PIPERAZINYL)ETHOXY)-, (±)-

Common Name

English

CETIRIZINE [VANDF]

Common Name

English

CETIDERM

Brand Name

English

Classification Tree Code System Code

LIVERTOX

180

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

NCI_THESAURUS

C29578

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

NDF-RT

N0000175587

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

WHO-VATC

QR06AE07

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

NDF-RT

N0000000190

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

WHO-ATC

R06AE07

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL1000

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

WIKIPEDIA

CETIRIZINE

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

LACTMED

Cetirizine

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

EPA CompTox

DTXSID4022787

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

DRUG BANK

DB00341

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

INN

5520

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

MERCK INDEX

m3291

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

Merck Index

SMS_ID

100000081513

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

RXCUI

20610

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

RxNorm

PUBCHEM

2678

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

DAILYMED

YO7261ME24

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

EVMPD

SUB07451MIG

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

DRUG CENTRAL

581

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

CHEBI

3561

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

CAS

83881-51-0

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

NCI_THESAURUS

C1042

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

MESH

D017332

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

IUPHAR

1222

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

HSDB

7739

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

FDA UNII

YO7261ME24

Created by admin on Fri Dec 15 16:26:53 UTC 2023 , Edited by admin on Fri Dec 15 16:26:53 UTC 2023

PRIMARY

Related Record Type Details


					482M00274D

OCT-2

TRANSPORTER -> INHIBITOR


					28XBT591QG

HISTAMINE H1 RECEPTOR

TARGET -> INHIBITOR

Amount:


					64O047KTOA

CETIRIZINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Amount:


					6U5EA9RT2O

ENANTIOMER -> RACEMATE

Amount:


					B46KUN2O9L

MATE-2

TRANSPORTER -> INHIBITOR


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Comments:

in vitro ER in the MDCK-MDR1 cell line from National Institutes of Health

Qualification:

EFFLUX RATIO

Amount:


					V57G6B5I8Z

CETIRIZINE, (S)-

ENANTIOMER -> RACEMATE

Amount:

Related Record Type Details


					30S50YM8OG

PARENT -> METABOLITE ACTIVE

Amount:

Related Record Type Details


					YO7261ME24

ACTIVE MOIETY

Amount:

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

Volume of Distribution	PHARMACOKINETIC