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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H25ClFN5O4
Molecular Weight 501.9387
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of AFATINIB N-OXIDE

SMILES

CN(=O)(C)C/C(/[H])=C(\[H])/C(=Nc1cc2c(cc1O[C@@]3([H])CCOC3)ncnc2Nc4ccc(c(c4)Cl)F)O

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

Molecular Formula C24H25ClFN5O4
Molecular Weight 501.9387
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 11:25:02 UTC 2021
Edited
by admin
on Sat Jun 26 11:25:02 UTC 2021
Record UNII
F3S5OLD39D
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 11:25:02 UTC 2021 , Edited by admin on Sat Jun 26 11:25:02 UTC 2021
PRIMARY
FDA UNII
F3S5OLD39D
Created by admin on Sat Jun 26 11:25:02 UTC 2021 , Edited by admin on Sat Jun 26 11:25:02 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE