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CHEBI:228260 - CLONE_osimertinib

Default Structure
ChEBI IDCHEBI:228260
ChEBI NameCLONE_osimertinib
Stars
DefinitionA member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer.
SubmitterAdnan
DownloadsMolfile
FormulaC28H33N7O2
Net Charge0
Average Mass499.619
Monoisotopic Mass499.26957
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
InChIKeyDUYJMQONPNNFPI-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
CLONE_osimertinib (CHEBI:228260) is a unclassifieds (CHEBI:27189)
IUPAC Name 
CLONE_N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)acrylamide
INNs  Source
CLONE_osimertinibWHO MedNet
CLONE_osimertinibWHO MedNet
CLONE_osimertinibWHO MedNet
CLONE_osimertinibumWHO MedNet
Synonyms  Source
CLONE_AZD 9291DrugCentral
CLONE_AZD-9291DrugCentral
CLONE_AZD9291DrugCentral
CLONE_N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamideDrugBank
CLONE_mereletinibDrugCentral
Manual XrefsDatabases
5062DrugCentral
DB09330DrugBank
HMDB0248778HMDB
LSM-6344LINCS
OsimertinibWikipedia
Registry NumbersSources
Reaxys:23334373Reaxys
CAS:1421373-65-0ChemIDplus
Citations