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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H23ClFN5O3
Molecular Weight 471.9126
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL AFATINIB

SMILES

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

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 471.9126
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 Jun 26 00:06:00 UTC 2021
Edited
by admin
on Sat Jun 26 00:06:00 UTC 2021
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 Jun 26 00:06:00 UTC 2021 , Edited by admin on Sat Jun 26 00:06:00 UTC 2021
PRIMARY
FDA UNII
43KI824L19
Created by admin on Sat Jun 26 00:06:00 UTC 2021 , Edited by admin on Sat Jun 26 00:06:00 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE