{ "iri" : "http://purl.obolibrary.org/obo/CHEBI_7915", "lang" : "en", "description" : [ "A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2." ], "synonyms" : [ "5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole", "pantoprazol", "pantoprazole", "pantoprazolum" ], "annotation" : { "charge" : [ "0" ], "formula" : [ "C16H15F2N3O4S" ], "has_RxCUI" : [ "40790" ], "has_dbxref" : [ "CAS:102625-70-7", "DrugBank:DB00213", "Drug_Central:2054", "HMDB:HMDB0005017", "KEGG:C11806", "KEGG:D05353", "LINCS:LSM-1390", "PMID:11110229", "PMID:11240974", "Patent:EP166287", "Patent:US4758579", "Reaxys:5361474", "VSDB:2958", "Wikipedia:Pantoprazole" ], "has_obo_namespace" : [ "chebi_ontology" ], "id" : [ "CHEBI:7915" ], "inchi" : [ "InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)" ], "inchikey" : [ "IQPSEEYGBUAQFF-UHFFFAOYSA-N" ], "mass" : [ "383.37093" ], "monoisotopicmass" : [ "383.07513" ], "smiles" : [ "COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC" ] }, "label" : "pantoprazole", "ontology_name" : "dron", "ontology_prefix" : "DRON", "ontology_iri" : "http://purl.obolibrary.org/obo/dron.owl", "is_obsolete" : false, "term_replaced_by" : null, "is_defining_ontology" : false, "has_children" : false, "is_root" : false, "short_form" : "CHEBI_7915", "obo_id" : "CHEBI:7915", "in_subset" : [ "3_STAR" ], "obo_definition_citation" : null, "obo_xref" : [ { "database" : "CAS", "id" : "102625-70-7", "description" : "ChemIDplus", "url" : null }, { "database" : "DrugBank", "id" : "DB00213", "description" : null, "url" : "http://www.drugbank.ca/drugs/DB00213" }, { "database" : "Drug_Central", "id" : "2054", "description" : "DrugCentral", "url" : "http://drugcentral.org/drugcard/2054" }, { "database" : "HMDB", "id" : "HMDB0005017", "description" : null, "url" : "http://www.hmdb.ca/metabolites/HMDB0005017" }, { "database" : "KEGG", "id" : "C11806", "description" : null, "url" : "http://www.kegg.jp/entry/C11806" }, { "database" : "KEGG", "id" : "D05353", "description" : null, "url" : "http://www.kegg.jp/entry/D05353" }, { "database" : "LINCS", "id" : "LSM-1390", "description" : null, "url" : null }, { "database" : "PMID", "id" : "11110229", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/11110229" }, { "database" : "PMID", "id" : "11240974", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/11240974" }, { "database" : "Patent", "id" : "EP166287", "description" : null, "url" : "https://www.google.com/patents/EP166287" }, { "database" : "Patent", "id" : "US4758579", "description" : null, "url" : "https://www.google.com/patents/US4758579" }, { "database" : "Reaxys", "id" : "5361474", "description" : "Reaxys", "url" : null }, { "database" : "VSDB", "id" : "2958", "description" : null, "url" : "https://sitem.herts.ac.uk/aeru/vsdb/Reports/2958.htm" }, { "database" : "Wikipedia", "id" : "Pantoprazole", "description" : null, "url" : "http://en.wikipedia.org/wiki/Pantoprazole" } ], "obo_synonym" : [ { "name" : "5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole", "scope" : "hasExactSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "IUPAC", "description" : null, "url" : null } ] }, { "name" : "pantoprazol", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "pantoprazole", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "pantoprazolum", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] } ], "is_preferred_root" : false, "_links" : { "self" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_7915?lang=en" }, "parents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_7915/parents" }, "ancestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_7915/ancestors" }, "hierarchicalParents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_7915/hierarchicalParents" }, "hierarchicalAncestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_7915/hierarchicalAncestors" }, "jstree" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_7915/jstree" }, "graph" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_7915/graph" }, "has_role" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_7915/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FRO_0000087" }, "is_conjugate_acid_of" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_7915/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252Fchebi%2523is_conjugate_acid_of" }, "is_bearer_of" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_7915/RO%253A0000053" } } }