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Details

Stereochemistry ACHIRAL
Molecular Formula C23H23ClFN5O2
Molecular Weight 455.9132
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of O-DESMETHYL DACOMITINIB

SMILES

C1CCN(CC1)C/C(/[H])=C(\[H])/C(=Nc2cc3c(cc2O)ncnc3Nc4ccc(c(c4)Cl)F)O

InChI

InChIKey=VFBCTMFFOJGSLU-SNAWJCMRSA-N
InChI=1S/C23H23ClFN5O2/c24-17-11-15(6-7-18(17)25)28-23-16-12-20(21(31)13-19(16)26-14-27-23)29-22(32)5-4-10-30-8-2-1-3-9-30/h4-7,11-14,31H,1-3,8-10H2,(H,29,32)(H,26,27,28)/b5-4+

HIDE SMILES / InChI

Molecular Formula C23H23ClFN5O2
Molecular Weight 455.9132
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:47:17 UTC 2021
Edited
by admin
on Sat Jun 26 01:47:17 UTC 2021
Record UNII
FSU0C3644U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DESMETHYL DACOMITINIB
Common Name English
DACOMITINIB METABOLITE M20
Common Name English
DACOMITINIB, O-DESMETHYL
Common Name English
(E)-N-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-HYDROXY-QUINAZOLIN-6-YL)-4-(1-PIPERIDYL)BUT-2-ENAMIDE
Systematic Name English
PF-05199265
Common Name English
Code System Code Type Description
PUBCHEM
136045759
Created by admin on Sat Jun 26 01:47:17 UTC 2021 , Edited by admin on Sat Jun 26 01:47:17 UTC 2021
PRIMARY
FDA UNII
FSU0C3644U
Created by admin on Sat Jun 26 01:47:17 UTC 2021 , Edited by admin on Sat Jun 26 01:47:17 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
MAJOR
FECAL; PLASMA