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ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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<div><div class='d-flex align-items-center'> <span class="flag-icon flag-icon-gb"></span> <div class='ml-1'> English </div> </div> </div>
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ID
http://purl.obolibrary.org/obo/CHEBI_73163
http://purl.obolibrary.org/obo/CHEBI_73163
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_73163
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Preferred name
oryzalin
Synonyms
4-(dipropylamino)-3,5-dinitrobenzenesulfonamide
3,5-Dinitro-N4,N4-dipropylsulphanilamide
3,5-dinitro-N(4),N(4)-dipropylsulfanilamide
4-(dipropylamino)-3,5-dinitrobenzene-1-sulfonamide
Definitions
A sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group.
Raw data
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_24527
http://purl.obolibrary.org/obo/CHEBI_33286
http://purl.obolibrary.org/obo/CHEBI_64911
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O
obo_purl:charge
0
obo_purl:inchikey
UNAHYJYOSSSJHH-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_24527
http://purl.obolibrary.org/obo/CHEBI_33286
http://purl.obolibrary.org/obo/CHEBI_64911
oboinowl_gen:hasDbXref
Pesticides:19044-88-3
KEGG:C18877
PMID:23261650
PMID:21983568
Wikipedia:Oryzalin
PPDB:494
PMID:20870876
CAS:19044-88-3
Reaxys:2177305
PMID:22771930
Patent:US2012108430
PMID:20405146
obo_purl:IAO_0000115
A sulfonamide that is benzenesulfonamide substituted at positions 3 and 5 by nitro groups and at position 4 by a dipropylamino group.
skos:notation
CHEBI:73163
oboinowl_gen:hasExactSynonym
4-(dipropylamino)-3,5-dinitrobenzenesulfonamide
obo_purl:mass
346.36000
obo_purl:inchi
InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)
obo_purl:formula
C12H18N4O6S
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
3,5-Dinitro-N4,N4-dipropylsulphanilamide
3,5-dinitro-N(4),N(4)-dipropylsulfanilamide
4-(dipropylamino)-3,5-dinitrobenzene-1-sulfonamide
oboinowl_gen:id
CHEBI:73163
rdfs:label
oryzalin
obo_purl:monoisotopicmass
346.09471
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_35716
http://purl.obolibrary.org/obo/CHEBI_35358
http://purl.obolibrary.org/obo/CHEBI_50996
http://purl.obolibrary.org/obo/CHEBI_33860
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