OSIMERTINIB MESYLATE

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Synonyms:	AZD-9291 MESYLATE AZD9291 MESYLATE MERELETINIB MESILATE MERELETINIB MESYLATE OSIMERTINIB MESILATE TAGRISSO
Status:	Approved (2015)
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	RDL94R2A16

Structure


InChI Key	FUKSNUHSJBTCFJ-UHFFFAOYSA-N
Smile	C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.CS(=O)(=O)O
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)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C29H37N7O5S
Molecular Weight	595.73
AlogP	4.51
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	87.55
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	37.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Epidermal growth factor receptor erbB1 inhibitor

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Lung Neoplasms	1	D008175	ClinicalTrials

Cross References

Resources	Reference
ChEBI	90948
ChEMBL	CHEMBL3545063
FDA SRS	RDL94R2A16
SureChEMBL	SCHEMBL14661152

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