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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H27ClFN5O2
Molecular Weight 483.966
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-ethoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide

SMILES

CCOC1=CC2=C(C=C1NC(=O)C=CCN3CCCCC3)C(NC4=CC(Cl)=C(F)C=C4)=NC=N2

InChI

InChIKey=XDXLWHQJFSMJFZ-VOTSOKGWSA-N
InChI=1S/C25H27ClFN5O2/c1-2-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+

HIDE SMILES / InChI

Approval Year

Name Type Language
N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-ethoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide
Systematic Name English
Dacomitinib Impurity C
Common Name English
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-ethoxy-6-quinazolinyl]-4-(1-piperidinyl)-
Systematic Name English
Code System Code Type Description
CAS
869199-69-9
Created by admin on Sat Dec 16 19:50:13 GMT 2023 , Edited by admin on Sat Dec 16 19:50:13 GMT 2023
PRIMARY
PUBCHEM
66584330
Created by admin on Sat Dec 16 19:50:13 GMT 2023 , Edited by admin on Sat Dec 16 19:50:13 GMT 2023
PRIMARY
FDA UNII
RBU9LH7MXX
Created by admin on Sat Dec 16 19:50:13 GMT 2023 , Edited by admin on Sat Dec 16 19:50:13 GMT 2023
PRIMARY