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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H18ClFN4O3
Molecular Weight 488.898
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of [C(E)]-5-[4-[[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-furancarboxaldehyde oxime

SMILES

O\N=C\C1=CC=C(O1)C2=CC=C3N=CN=C(NC4=CC(Cl)=C(OCC5=CC(F)=CC=C5)C=C4)C3=C2

InChI

InChIKey=VJGGZMVCLQLQFS-IURWMYGYSA-N
InChI=1S/C26H18ClFN4O3/c27-22-12-19(5-8-25(22)34-14-16-2-1-3-18(28)10-16)32-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(35-24)13-31-33/h1-13,15,33H,14H2,(H,29,30,32)/b31-13+

HIDE SMILES / InChI

Molecular Formula C26H18ClFN4O3
Molecular Weight 488.898
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 Wed Apr 02 00:26:41 GMT 2025
Edited
by admin
on Wed Apr 02 00:26:41 GMT 2025
Record UNII
TXB2AJH2U9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
E-Oxime lapatinib
Preferred Name English
[C(E)]-5-[4-[[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-furancarboxaldehyde oxime
Systematic Name English
N-{3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-{5-[(E)-(hydroxyimino)methyl]furan-2-yl}quinazolin-4-amine
Systematic Name English
2-Furancarboxaldehyde, 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-, oxime, [C(E)]-
Systematic Name English
Lapatinib metabolite M9
Common Name English
Code System Code Type Description
CAS
1415563-21-1
Created by admin on Wed Apr 02 00:26:41 GMT 2025 , Edited by admin on Wed Apr 02 00:26:41 GMT 2025
PRIMARY
PUBCHEM
118753055
Created by admin on Wed Apr 02 00:26:41 GMT 2025 , Edited by admin on Wed Apr 02 00:26:41 GMT 2025
PRIMARY
FDA UNII
TXB2AJH2U9
Created by admin on Wed Apr 02 00:26:41 GMT 2025 , Edited by admin on Wed Apr 02 00:26:41 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE