loading...| Preferred Name |
osimertinib mesylate |
|
| Synonyms |
N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide methanesulfonate osimertinib mesylate osimertinib mesilate osimertinib monomesylate osimertinib methanesulfonate Tagrisso AZD9291 mesylate |
|
| Definitions |
A methanesulfonate (mesylate) salt prepared from equimolar amounts of osimertinib and methanesulfonic acid. It is used for treatment of EGFR T790M mutation positive non-small cell lung cancer. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_90948 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:30643560 PMID:34564820 Reaxys:23334374 PMID:29998228 PMID:26515464 PMID:27923840 PMID:26720284 PMID:33755621 PMID:28710746 CAS:1421373-66-1 PMID:27660466 PMID:26620497 PMID:26720671 PMID:34156056 PMID:26729184 PMID:32211870 PMID:27641462 PMID:29180936 KEGG:D10766 PMID:30073261 PMID:34723634 |
|
| definition |
A methanesulfonate (mesylate) salt prepared from equimolar amounts of osimertinib and methanesulfonic acid. It is used for treatment of EGFR T790M mutation positive non-small cell lung cancer. |
|
| formula |
C29H37N7O5S |
|
| has part | ||
| has role | ||
| has_exact_synonym |
N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide methanesulfonate osimertinib mesylate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
osimertinib mesilate osimertinib monomesylate osimertinib methanesulfonate Tagrisso AZD9291 mesylate |
|
| id |
CHEBI:90948 |
|
| in_subset | ||
| inchi |
InChI=1S/C28H33N7O2.CH4O3S/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;1-5(2,3)4/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);1H3,(H,2,3,4) |
|
| inchikey |
FUKSNUHSJBTCFJ-UHFFFAOYSA-N |
|
| label |
osimertinib mesylate |
|
| mass |
595.715 |
|
| monoisotopicmass |
595.25769 |
|
| notation |
CHEBI:90948 |
|
| prefLabel |
osimertinib mesylate |
|
| smiles |
CN1C=2C(C(C3=NC(NC4=C(OC)C=C(C(=C4)NC(C=C)=O)N(CCN(C)C)C)=NC=C3)=C1)=CC=CC2.CS(O)(=O)=O |
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| treeView | ||
| subClassOf |