MONTELUKAST

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H36ClNO3S
Molecular Weight	586.183
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of MONTELUKAST

Structure Search

SMILES

CC(C)(O)C1=C(CC[C@@H](SCC2(CC(O)=O)CC2)C3=CC(\C=C\C4=NC5=CC(Cl)=CC=C5C=C4)=CC=C3)C=CC=C1

InChI

InChIKey=UCHDWCPVSPXUMX-TZIWLTJVSA-N

InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H36ClNO3S
Molecular Weight	586.183
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:13 UTC 2023` Edited by `admin` on `Fri Dec 15 15:48:13 UTC 2023`
Record UNII	MHM278SD3E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MONTELUKAST

Official Name

English

MONTELUKAST [MI]

Common Name

English

montelukast [INN]

Common Name

English

MONTELUKAST [VANDF]

Common Name

English

BRONDILAT

Brand Name

English

(1-((((1R)-1-(3-((E)-2-(7-CHLOROQUINOLIN-2-YL)VINYL)PHENYL)-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPYL)ACETIC ACID

Systematic Name

English

Montelukast [WHO-DD]

Common Name

English

CYCLOPROPANEACETIC ACID, 1-((((1R)-1-(3-((E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)-

Common Name

English

MONTELUKAST [HSDB]

Common Name

English

Classification Tree Code System Code

NDF-RT

N0000000083

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

LIVERTOX

NBK548264

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

WHO-ATC

R03DC03

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

WHO-VATC

QR03DC03

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

WHO-ATC

R03DC53

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

NDF-RT

N0000175777

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

NCI_THESAURUS

C29712

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

Code System Code Type Description

HSDB

7582

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

EVMPD

SUB09054MIG

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

CAS

158966-92-8

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

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DAILYMED

MHM278SD3E

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

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FDA UNII

MHM278SD3E

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

IUPHAR

3340

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

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EPA CompTox

DTXSID9023334

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

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ChEMBL

CHEMBL787

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

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DRUG CENTRAL

1836

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

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INN

7388

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

CHEBI

50730

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

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LACTMED

Montelukast

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

SMS_ID

100000080382

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

NCI_THESAURUS

C66189

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

MESH

C093875

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

MERCK INDEX

m7616

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

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Merck Index

WIKIPEDIA

MONTELUKAST

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

PUBCHEM

5281040

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

RXCUI

88249

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

RxNorm

DRUG BANK

DB00471

Created by admin on Fri Dec 15 15:48:13 UTC 2023 , Edited by admin on Fri Dec 15 15:48:13 UTC 2023

PRIMARY

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CYSTEINYL LEUKOTRIENE RECEPTOR 1

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MONTELUKAST SODIUM

SALT/SOLVATE -> PARENT

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1-((((1R,3S)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID

METABOLITE -> PARENT

Amount:


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.ALPHA. HYDROXY MONTELUKAST

METABOLITE -> PARENT

Amount:


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MONTELUKAST SULFOXIDE

METABOLITE -> PARENT

Amount:


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1-((((1R,3R)-1-(3-((1E)-2-(7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL)-3-HYDROXY-3-(2-(1-HYDROXY-1-METHYLETHYL)PHENYL)PROPYL)THIO)METHYL)CYCLOPROPANEACETIC ACID

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Amount:


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METABOLITE -> PARENT

Amount:

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ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC				ORAL, GRANULE PHARMACOKINETIC ORAL, FILM-COATED TABLET PHARMACOKINETIC

ORAL BIOAVAILABILITY	PHARMACOKINETIC				FILM-COATED TABLET PHARMACOKINETIC EFFECT OF FOOD (CHEWABLE TABLET) PHARMACOKINETIC