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Details

Stereochemistry ACHIRAL
Molecular Formula C26H20ClFN4O2
Molecular Weight 474.914
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DEALKYLATED LAPATINIB

SMILES

NCC1=CC=C(O1)C2=CC=C3N=CN=C(NC4=CC(Cl)=C(OCC5=CC(F)=CC=C5)C=C4)C3=C2

InChI

InChIKey=NQHFMDSFFGTFSK-UHFFFAOYSA-N
InChI=1S/C26H20ClFN4O2/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)32-26-21-11-17(4-7-23(21)30-15-31-26)24-9-6-20(13-29)34-24/h1-12,15H,13-14,29H2,(H,30,31,32)

HIDE SMILES / InChI

Molecular Formula C26H20ClFN4O2
Molecular Weight 474.914
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:49:49 GMT 2025
Edited
by admin
on Mon Mar 31 20:49:49 GMT 2025
Record UNII
6MG3HT6C36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LAPATINIB METABOLITE M2 [MOLPHARM]
Preferred Name English
N-DEALKYLATED LAPATINIB
Common Name English
6-(5-(AMINOMETHYL)-2-FURYL)-N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)QUINAZOLIN-4-AMINE
Systematic Name English
4-QUINAZOLINAMINE, 6-(5-(AMINOMETHYL)-2-FURANYL)-N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-
Systematic Name English
LAPATINIB METABOLITE M4 [DMD]
Common Name English
(6-(5-AMINOMETHYLFURAN-2-YL)QUINAZOLIN-4-YL)(3-CHLORO-4-(3-FLUOROBENZYLOXY)PHENYL)AMINE
Systematic Name English
Code System Code Type Description
CAS
697299-82-4
Created by admin on Mon Mar 31 20:49:49 GMT 2025 , Edited by admin on Mon Mar 31 20:49:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID40620660
Created by admin on Mon Mar 31 20:49:49 GMT 2025 , Edited by admin on Mon Mar 31 20:49:49 GMT 2025
PRIMARY
FDA UNII
6MG3HT6C36
Created by admin on Mon Mar 31 20:49:49 GMT 2025 , Edited by admin on Mon Mar 31 20:49:49 GMT 2025
PRIMARY
PUBCHEM
21952026
Created by admin on Mon Mar 31 20:49:49 GMT 2025 , Edited by admin on Mon Mar 31 20:49:49 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR