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The Prescription of Drugs Ontology
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September 4, 2020
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Id | http://purl.obolibrary.org/obo/CHEBI_50730
http://purl.obolibrary.org/obo/CHEBI_50730
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Preferred Name | montelukast |
Synonyms |
(R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic 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
montelukast
Montelukast
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
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Type | http://www.w3.org/2002/07/owl#Class |
All Properties
label |
montelukast
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prefLabel |
montelukast
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database_cross_reference |
Beilstein:7896575
KEGG:C07482
CAS:158966-92-8
KEGG:D08229
Drug_Central:1836
DrugBank:DB00471
PDBeChem:MTK
Patent:EP1886997
Wikipedia:Montelukast
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notation |
CHEBI:50730
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in_subset | |
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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has_related_synonym |
(R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic 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
montelukast
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id |
CHEBI:50730
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charge |
0
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has_obo_namespace |
chebi_ontology
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prefixIRI |
CHEBI:50730
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formula |
C35H36ClNO3S
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subClassOf | |
inchikey |
UCHDWCPVSPXUMX-TZIWLTJVSA-N
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mass |
586.18398
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monoisotopicmass |
585.21044
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is bearer of | |
has_alternative_id |
CHEBI:49756
CHEBI:6992
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type | |
smiles |
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC1)CC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
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has_RxCUI |
88249
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has role | |
has_exact_synonym |
Montelukast
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
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bearer_of | |
alternative term |
(R-(E))-1-(((1-(3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic 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
montelukast
Montelukast
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
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is conjugate acid of |
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