U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C24H24N6O2
Molecular Weight 428.4873
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-METHOXY-2-(METHYLAMINO)-5-((4-(1-METHYLINDOL-3-YL)PYRIMIDIN-2-YL)AMINO)PHENYL)PROP-2-ENAMIDE

SMILES

C=CC(=Nc1cc(c(cc1NC)OC)Nc2nccc(-c3cn(C)c4ccccc34)n2)O

InChI

InChIKey=MXOAYBHVDKUSDI-UHFFFAOYSA-N
InChI=1S/C24H24N6O2/c1-5-23(31)27-19-12-20(22(32-4)13-18(19)25-2)29-24-26-11-10-17(28-24)16-14-30(3)21-9-7-6-8-15(16)21/h5-14,25H,1H2,2-4H3,(H,27,31)(H,26,28,29)

HIDE SMILES / InChI

Molecular Formula C24H24N6O2
Molecular Weight 428.4873
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:44:25 UTC 2021
Edited
by admin
on Sat Jun 26 07:44:25 UTC 2021
Record UNII
BCQ0XF3C37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-METHOXY-2-(METHYLAMINO)-5-((4-(1-METHYLINDOL-3-YL)PYRIMIDIN-2-YL)AMINO)PHENYL)PROP-2-ENAMIDE
Systematic Name English
OSIMERTINIB METABOLITE M2
Common Name English
Code System Code Type Description
PUBCHEM
145022764
Created by admin on Sat Jun 26 07:44:25 UTC 2021 , Edited by admin on Sat Jun 26 07:44:25 UTC 2021
PRIMARY
FDA UNII
BCQ0XF3C37
Created by admin on Sat Jun 26 07:44:25 UTC 2021 , Edited by admin on Sat Jun 26 07:44:25 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
This metabolite was detected in human hepatocytes.