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ChEBI
> Main
CHEBI:31169 -
N
-acetylsulfamethoxazole
Main
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ChEBI Name
N
-acetylsulfamethoxazole
ChEBI ID
CHEBI:31169
ChEBI ASCII Name
N-acetylsulfamethoxazole
Definition
A sulfonamide compound having a 4-acetamidophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C12H13N3O4S
Net Charge
0
Average Mass
295.31400
Monoisotopic Mass
295.06268
InChI
InChI=1S/C12H13N3O4S/c1-
8-
7-
12(14-
19-
8)
15-
20(17,18)
11-
5-
3-
10(4-
6-
11)
13-
9(2)
16/h3-
7H,1-
2H3,(H,13,16)
(H,14,15)
InChIKey
GXPIUNZCALHVBA-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
Roles Classification
Biological Role
(s):
drug metabolite
marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
-acetylsulfamethoxazole (
CHEBI:31169
)
has functional parent
sulfamethoxazole (
CHEBI:9332
)
N
-acetylsulfamethoxazole (
CHEBI:31169
)
has functional parent
sulfanilamide (
CHEBI:45373
)
N
-acetylsulfamethoxazole (
CHEBI:31169
)
has role
drug metabolite (
CHEBI:49103
)
N
-acetylsulfamethoxazole (
CHEBI:31169
)
has role
marine xenobiotic metabolite (
CHEBI:83399
)
N
-acetylsulfamethoxazole (
CHEBI:31169
)
is a
isoxazoles (
CHEBI:55373
)
N
-acetylsulfamethoxazole (
CHEBI:31169
)
is a
sulfonamide (
CHEBI:35358
)
IUPAC Name
N
-{4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl}acetamide
Synonyms
Sources
4'-((5-Methyl-3-isoxazolyl)sulfamoyl)acetanilide
ChemIDplus
Acetylsulfamethoxazole
KEGG COMPOUND
Gantanol (TN)
KEGG DRUG
N4-Acetylsulfamethoxazole
ChemIDplus
N
4
-Acetylsulfisomezole
ChemIDplus
N
4
-Acetylsulfulfamethoxazole
ChemIDplus
SMX-acetate
ChEBI
sulfamethoxazole acetate
ChEBI
Sulfisomezole-N
4
-acetate
ChemIDplus
Manual Xrefs
Databases
C13061
KEGG COMPOUND
D01601
KEGG DRUG
View more database links
Registry Numbers
Types
Sources
21312-10-7
CAS Registry Number
ChemIDplus
21312-10-7
CAS Registry Number
KEGG DRUG
285801
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10843725
PubMed citation
Europe PMC
15545312
PubMed citation
Europe PMC
15984773
PubMed citation
Europe PMC
2022750
PubMed citation
Europe PMC
2040608
PubMed citation
Europe PMC
21351294
PubMed citation
Europe PMC
24875872
PubMed citation
Europe PMC
8062495
PubMed citation
Europe PMC
8807056
PubMed citation
Europe PMC
Last Modified
10 November 2014
General Comment
2014-10-29
Metabolite of Sulfamethoxazole