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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_50730
http://purl.obolibrary.org/obo/CHEBI_50730
|
|---|---|
| Preferred Name | montelukast |
| Synonyms |
MONTELUKAST
{1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid
montelukast
(R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid
Montelukast
C35H36ClNO3S
2-[1-({[(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetic acid
1-[[[(1 R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl] phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfanyl]methyl]cyclopropaneacetic acid
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | montelukast
|
|---|---|
| label | montelukast
|
| ATCCode | R03DC03
|
| Definition | An alkyl sulfide that has formula C35H36ClNO3S.
|
| altId |
CHEBI:49756
CHEBI:6992
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| has effect |
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| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey | InChIKey=UCHDWCPVSPXUMX-TZIWLTJVSA-N
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| is metabolised by | |
| blocks | |
| AHFScode | 48:10.24
|
| Synonym | MONTELUKAST
{1-[({(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid
montelukast
(R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid
Montelukast
C35H36ClNO3S
2-[1-({[(1R)-1-{3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl}methyl)cyclopropyl]acetic acid
1-[[[(1 R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl] phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfanyl]methyl]cyclopropaneacetic acid
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| xref |
PDBeChem:MTK
DrugBank:DB00471
PubChem Compound:5281040
ChEMBL:147447
Beilstein:7896575
PharmGKB:PA450546
Patent:EP1886997
Wikipedia:http://en.wikipedia.org/wiki/Montelukast
ChEBI:6992
CASRN:158966-92-8
KEGG COMPOUND:C07482
Drugs.com:http://www.drugs.com/cdi/montelukast.html
Wikipedia:Montelukast
Drugs Product Database (DPD):2243602
RxList:http://www.rxlist.com/cgi/generic3/monteluk.htm
ChemSpider:4444507
National Drug Code Directory:0006-0275-82
PubChem Substance:46505585
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| CASRN | 158966-92-8
|
| prefixIRI | obo2:CHEBI_50730
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| is transported by | |
| related with | |
| SMILES |
OC(=O)CC1(CC1)CS[C@H](CCC1=CC=CC=C1C(O)(C)C)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC1)CC(O)=O)c1cccc(\\C=C\\c2ccc3ccc(Cl)cc3n2)c1
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| DBname | montelukast
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| InChI | 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
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| DBBrand |
singular
montair
singulair
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| subClassOf |
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