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ID	http://purl.obolibrary.org/obo/CHEBI_45783 http://purl.obolibrary.org/obo/CHEBI_45783 https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_45783 Loading
Preferred name	imatinib
Synonyms	4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE STI 571 imatinib alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide
Definitions	A benzamide obtained by formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary aromatic amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine. Used (as its mesylate salt) for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24532 Loading http://purl.obolibrary.org/obo/CHEBI_37622 Loading
rdfs:label	imatinib
skos:notation	CHEBI:45783
obo_purl:IAO_0000115	A benzamide obtained by formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary aromatic amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine. Used (as its mesylate salt) for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.
oboinowl_gen:hasExactSynonym	4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide
oboinowl_gen:hasDbXref	Beilstein:7671333 CAS:152459-95-5 DrugBank:DB00619 Drug_Central:1423 HMDB:HMDB0014757 KEGG:D08066 LINCS:LSM-1023 NCIt:C62035 PDBeChem:STI PMID:14660054 PMID:14715630 PMID:15073101 PMID:15170967 PMID:15722647 PMID:15794712 PMID:15966213 PMID:16122278 PMID:16826359 PMID:16983347 PMID:17190842 PMID:17410337 PMID:17457302 PMID:17717205 PMID:18193246 PMID:18216472 PMID:18337118 PMID:18344535 PMID:18376233 PMID:18407734 PMID:18420270 PMID:18423008 PMID:18548219 PMID:18623899 PMID:18780518 PMID:18809244 PMID:19020005 PMID:19052981 PMID:19077095 PMID:19097599 PMID:19182535 PMID:19242505 PMID:19415889 PMID:19527930 PMID:19591692 PMID:19693287 PMID:19749465 PMID:19810774 PMID:19853594 PMID:19920908 PMID:22891806 PMID:23075630 PMID:23183914 PMID:23313020 PMID:23394269 PMID:23480638 PMID:23503753 PMID:23536338 PMID:23574742 PMID:23580311 PMID:23587588 Patent:EP564409 Patent:US5521184 Reaxys:7671333 SNOMEDCT:391634008 SNOMEDCT:414460008 Wikipedia:Imatinib MESH:C097613 See more See less
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:45783
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
oboinowl_gen:hasRelatedSynonym	4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE STI 571 imatinib alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide
oboinowl_gen:hasAlternativeId	CHEBI:305376 CHEBI:38918 CHEBI:45781
obo_purl:charge	0
obo_purl:formula	C29H31N7O
obo_purl:inchi	InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
obo_purl:inchikey	KTUFNOKKBVMGRW-UHFFFAOYSA-N
obo_purl:mass	493.60270
obo_purl:monoisotopicmass	493.25901
obo_purl:smiles	CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

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