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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:10100 - zafirlukast
Main
ChEBI Ontology
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ChEBI Name
zafirlukast
ChEBI ID
CHEBI:10100
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Wikipedia
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Read full article at Wikipedia
Formula
C31H33N3O6S
Net Charge
0
Average Mass
575.677
Monoisotopic Mass
575.20901
InChI
InChI=1S/C31H33N3O6S/c1-
20-
8-
4-
7-
11-
29(20)
41(37,38)
33-
30(35)
22-
13-
12-
21(28(17-
22)
39-
3)
16-
23-
19-
34(2)
27-
15-
14-
24(18-
26(23)
27)
32-
31(36)
40-
25-
9-
5-
6-
10-
25/h4,7-
8,11-
15,17-
19,25H,5-
6,9-
10,16H2,1-
3H3,(H,32,36)
(H,33,35)
InChIKey
YEEZWCHGZNKEEK-UHFFFAOYSA-N
SMILES
C1=CC=2N(C=C(C2C=C1NC(OC3CCCC3)=O)CC4=CC=C(C(NS(C5=CC=CC=C5C)(=O)=O)=O)C=C4OC)C
Roles Classification
Biological Role
(s):
leukotriene antagonist
A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
Application
(s):
leukotriene antagonist
A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
anti-asthmatic agent
Any compound that has anti-asthmatic effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
zafirlukast (
CHEBI:10100
)
has role
anti-asthmatic agent (
CHEBI:65023
)
zafirlukast (
CHEBI:10100
)
has role
leukotriene antagonist (
CHEBI:49159
)
zafirlukast (
CHEBI:10100
)
is a
N
-sulfonylcarboxamide (
CHEBI:90852
)
zafirlukast (
CHEBI:10100
)
is a
carbamate ester (
CHEBI:23003
)
zafirlukast (
CHEBI:10100
)
is a
indoles (
CHEBI:24828
)
IUPAC Name
cyclopentyl 3-
[2-
methoxy-
4-
(2-
methylphenylsulfonylcarbamoyl)benzyl]-
1-
methyl-
1
H
-
indol-
5-
ylcarbamate
INN
Source
zafirlukast
ChemIDplus
Synonyms
Sources
4-
(5-
cyclopentyloxycarbonylamino-
1-
methyl-
1
H
-
indol-
3-
ylmethyl)-
3-
methoxy-
N
-
o
-
tolylsulfonylbenzamide
ChEBI
cyclopentyl 3-(2-methoxy-4-((
o
-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate
ChemIDplus
Brand Name
Source
Accolate
KEGG DRUG
Manual Xrefs
Databases
2855
DrugCentral
C07206
KEGG COMPOUND
D00411
KEGG DRUG
DB00549
DrugBank
HMDB0014689
HMDB
LSM-5792
LINCS
Zafirlukast
Wikipedia
View more database links
Registry Numbers
Types
Sources
107753-78-6
CAS Registry Number
ChemIDplus
3641829
Reaxys Registry Number
Reaxys
3641829
Beilstein Registry Number
Beilstein
Citations
Types
Sources
11888331
PubMed citation
Europe PMC
19331987
PubMed citation
Europe PMC
22159431
PubMed citation
Europe PMC
22614107
PubMed citation
Europe PMC
24258705
PubMed citation
Europe PMC
25798389
PubMed citation
Europe PMC
25834030
PubMed citation
Europe PMC
Last Modified
22 February 2017