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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23ClFN5O3
Molecular Weight 471.912
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL AFATINIB

SMILES

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

InChI

InChIKey=XMAATFWFFWESFY-FAAWYNLUSA-N
InChI=1S/C23H23ClFN5O3/c1-26-7-2-3-22(31)30-20-10-16-19(11-21(20)33-15-6-8-32-12-15)27-13-28-23(16)29-14-4-5-18(25)17(24)9-14/h2-5,9-11,13,15,26H,6-8,12H2,1H3,(H,30,31)(H,27,28,29)/b3-2+/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H23ClFN5O3
Molecular Weight 471.912
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:58:42 GMT 2023
Edited
by admin
on Sat Dec 16 07:58:42 GMT 2023
Record UNII
43KI824L19
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYL AFATINIB
Common Name English
AFATINIB METABOLITE M10
Common Name English
Code System Code Type Description
PUBCHEM
92135819
Created by admin on Sat Dec 16 07:58:42 GMT 2023 , Edited by admin on Sat Dec 16 07:58:42 GMT 2023
PRIMARY
FDA UNII
43KI824L19
Created by admin on Sat Dec 16 07:58:42 GMT 2023 , Edited by admin on Sat Dec 16 07:58:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE