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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H25ClFN5O4
Molecular Weight 501.938
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AFATINIB N-OXIDE

SMILES

C[N+](C)([O-])C\C=C\C(=O)NC1=CC2=C(C=C1O[C@H]3CCOC3)N=CN=C2NC4=CC(Cl)=C(F)C=C4

InChI

InChIKey=IABSYXLQTGEUIV-CWDCEQMOSA-N
InChI=1S/C24H25ClFN5O4/c1-31(2,33)8-3-4-23(32)30-21-11-17-20(12-22(21)35-16-7-9-34-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AFATINIB N-OXIDE
Common Name English
(2E)-N-(4-(3-CHLORO-4-FLUOROANILINO)-7-(((3S)-OXOLAN-3-YL)OXY)QUINOXAZOLIN-6-YL)-4-(DIMETHYLAMINO)BUT-2-ENAMIDE N-OXIDE
Systematic Name English
AFATINIB METABOLITE M15
Common Name English
Code System Code Type Description
PUBCHEM
76967686
Created by admin on Sat Dec 16 08:24:24 GMT 2023 , Edited by admin on Sat Dec 16 08:24:24 GMT 2023
PRIMARY
FDA UNII
F3S5OLD39D
Created by admin on Sat Dec 16 08:24:24 GMT 2023 , Edited by admin on Sat Dec 16 08:24:24 GMT 2023
PRIMARY