ESOMEPRAZOLE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H19N3O3S
Molecular Weight	345.416
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESOMEPRAZOLE

Structure Search

SMILES

COC1=CC2=C(NC(=N2)[S@@+]([O-])CC3=C(C)C(OC)=C(C)C=N3)C=C1

InChI

InChIKey=SUBDBMMJDZJVOS-DEOSSOPVSA-N

InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H19N3O3S
Molecular Weight	345.416
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 17:47:59 UTC 2023` Edited by `admin` on `Sat Dec 16 17:47:59 UTC 2023`
Record UNII	N3PA6559FT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ESOMEPRAZOLE

Official Name

English

H199/18

Common Name

English

A02BC05

Code

English

OMEPRAZOLE S-FORM [MI]

Common Name

English

ESOMEPRAZOLE [VANDF]

Common Name

English

1H-BENZIMIDAZOLE, 5-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)SULFINYL)-

Systematic Name

English

Esomeprazole [WHO-DD]

Common Name

English

esomeprazole [INN]

Common Name

English

INEXIUM PARANOVA

Brand Name

English

5-METHOXY-2-((S)-((4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHYL)SULFINYL)BENZIMIDAZOLE

Systematic Name

English

ESOMEPRAZOLE [MART.]

Common Name

English

OMEPRAZOLE S-FORM

Common Name

English

OMEPRAZOLE, (S)-

Common Name

English

Classification Tree Code System Code

WHO-VATC

QB01AC56

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

WHO-ATC

B01AC56

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

WHO-ATC

A02BC05

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

NDF-RT

N0000175525

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

WHO-VATC

QM01AE52

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

WHO-ATC

A02BD06

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

LIVERTOX

370

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

WHO-ATC

M01AE52

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

NDF-RT

N0000000147

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

WHO-VATC

QA02BC05

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

NCI_THESAURUS

C29723

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

FDA ORPHAN DRUG

684119

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

WHO-VATC

QA02BD06

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

EMA ASSESSMENT REPORTS

NEXIUM CONTROL (AUTHOIRIZED: GASTROESOPHAGEAL REFLUX)

Code System Code Type Description

MERCK INDEX

m8209

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

Merck Index

IUPHAR

5488

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

HSDB

8158

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

DRUG CENTRAL

1055

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

NDF-RT

N0000182140

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

Cytochrome P450 2C19 Inhibitors [MoA]

DAILYMED

N3PA6559FT

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

ChEMBL

CHEMBL1201320

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

PUBCHEM

9568614

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

RXCUI

283742

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

RxNorm

DRUG BANK

DB00736

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

SMS_ID

100000087252

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

WIKIPEDIA

ESOMEPRAZOLE

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

EVMPD

SUB01960MIG

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

EPA CompTox

DTXSID4044292

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

LACTMED

Esomeprazole

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

INN

7766

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

CHEBI

50275

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

NCI_THESAURUS

C65538

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

CAS

119141-88-7

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

FDA UNII

N3PA6559FT

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

MESH

D064098

Created by admin on Sat Dec 16 17:48:01 UTC 2023 , Edited by admin on Sat Dec 16 17:48:01 UTC 2023

PRIMARY

Related Record Type Details


					F37S7G37O2

ESOMEPRAZOLE POTASSIUM

SALT/SOLVATE -> PARENT

Amount:


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					SCC2RK476A

ESOMEPRAZOLE STRONTIUM ANHYDROUS

SALT/SOLVATE -> PARENT

Amount:


					E2UJ1FS3EI

POTASSIUM-TRANSPORTING ATPASE ALPHA CHAIN 1

TARGET -> INHIBITOR

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Amount:


					925R0D7W1O

ESOMEPRAZOLE MAGNESIUM ANHYDROUS

SALT/SOLVATE -> PARENT

Amount:


					36H71644EQ

ESOMEPRAZOLE MAGNESIUM DIHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

TARGET -> SUBSTRATE


					C5N25H3803

ESOMEPRAZOLE STRONTIUM

SALT/SOLVATE -> PARENT

Amount:


					L2C9GWQ43H

Esomeprazole Sodium

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					NB8266RV7D

2-(2-HYDROXYSULFANYL-4-METHOXY-3,5-DIMETHYL-PYRIDIN-1-IUM-1-YL)-5-METHOXY-1H-BENZIMIDAZOLE

METABOLITE ACTIVE -> PRODRUG

Amount:


					4QH6U7ON70

3-PYRIDINEMETHANOL, 4-METHOXY-6-(((6-METHOXY-1H-BENZIMIDAZOL-2-YL)SULFONYL)METHYL)-5-METHYL-

METABOLITE INACTIVE -> PARENT

Amount:


					76X040Z74O

OMEPRAZOLE SULFONE

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Amount:


					70LM138BBC

5-O-DESMETHYLESOMEPRAZOLE

METABOLITE INACTIVE -> PARENT

Comments:

Metabolism of esomeprazole occurs via the hepatic CYP isoforms CYP2C19 and CYP3A4, which produce the 2 main pharmacologically inactive hydroxy and sulphone metabolites, respectively

Interaction Type:

MAJOR

Amount:


					ZVL67L3RDK

3,10-DIMETHOXY-2,4-DIMETHYL-5H-BENZO(4,5)IMIDAZO(1,2-B)PYRIDO(1,2-D)(1,2,4)THIADIAZIN-13-IUM

METABOLITE ACTIVE -> PRODRUG

Amount:

Related Record Type Details


					3W22G4FAT5

N-Methyl Esomeprazole

IMPURITY -> PARENT

Amount:


					HK2YV8W65B

1-N-Methyl Esomeprazole

IMPURITY -> PARENT

Amount:

Related Record Type Details


					ZVL67L3RDK

3,10-DIMETHOXY-2,4-DIMETHYL-5H-BENZO(4,5)IMIDAZO(1,2-B)PYRIDO(1,2-D)(1,2,4)THIADIAZIN-13-IUM

ACTIVE MOIETY

Amount:

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

Volume of Distribution	PHARMACOKINETIC

Tmax	PHARMACOKINETIC				CHILDREN

ORAL BIOAVAILABILITY	PHARMACOKINETIC