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ID	http://purl.obolibrary.org/obo/CHEBI_31701 http://purl.obolibrary.org/obo/CHEBI_31701 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_31701 Loading
Preferred name	iobitridol
Synonyms	N,N'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide N,N'-bis(2,3-dihydroxypropyl)-5-{[3-hydroxy-2-(hydroxymethyl)propanoyl]amino}-2,4,6-triiodo-N,N'-dimethylbenzene-1,3-dicarboxamide
Definitions	A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a 3-hydroxy-2-(hydroxymethyl)propanimido at position 5.

obo_purl:RO_0000053	http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_37338 http://purl.obolibrary.org/obo/CHEBI_78298
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I
obo_purl:charge	0
obo_purl:inchikey	YLPBXIKWXNRACS-UHFFFAOYSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_37338 http://purl.obolibrary.org/obo/CHEBI_78298
oboinowl_gen:hasDbXref	Drug_Central:1449 PMID:24531005 KEGG:D01181 PMID:25238643 Wikipedia:Iobitridol CAS:136949-58-1 Reaxys:8178996 PMID:23341290
obo_purl:IAO_0000115	A benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a 3-hydroxy-2-(hydroxymethyl)propanimido at position 5.
skos:notation	CHEBI:31701
oboinowl_gen:hasExactSynonym	N,N'-bis(2,3-dihydroxypropyl)-5-{[3-hydroxy-2-(hydroxymethyl)propanoyl]amino}-2,4,6-triiodo-N,N'-dimethylbenzene-1,3-dicarboxamide
obo_purl:mass	835.16440
obo_purl:inchi	InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)
obo_purl:formula	C20H28I3N3O9
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	N,N'-bis(2,3-dihydroxypropyl)-5-(2-(hydroxymethyl)hydracrylamido)-2,4,6-triiodo-N,N'-dimethylisophthalamide
oboinowl_gen:id	CHEBI:31701
rdfs:label	iobitridol
obo_purl:monoisotopicmass	834.89596
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_37206 http://purl.obolibrary.org/obo/CHEBI_38800 http://purl.obolibrary.org/obo/CHEBI_37142

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