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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H19BrClFN4O3
Molecular Weight 521.767
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-Bromo-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-2-butenamide, (2E)-

SMILES

FC1=C(Cl)C=C(NC2=NC=NC3=C2C=C(NC(=O)\C=C\CBr)C(O[C@H]4CCOC4)=C3)C=C1

InChI

InChIKey=IQJWAIKYBNTYPG-YUKKFKLSSA-N
InChI=1S/C22H19BrClFN4O3/c23-6-1-2-21(30)29-19-9-15-18(10-20(19)32-14-5-7-31-11-14)26-12-27-22(15)28-13-3-4-17(25)16(24)8-13/h1-4,8-10,12,14H,5-7,11H2,(H,29,30)(H,26,27,28)/b2-1+/t14-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Bromo-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-2-butenamide, (2E)-
Systematic Name English
(S,E)-4-Bromo-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)but-2-enamide
Systematic Name English
Afatinib Impurity I
Common Name English
2-Butenamide, 4-bromo-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-, (2E)-
Systematic Name English
(2E)-4-Bromo-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-2-butenamide
Systematic Name English
Code System Code Type Description
FDA UNII
5WWC96C6TZ
Created by admin on Sat Dec 16 19:53:39 GMT 2023 , Edited by admin on Sat Dec 16 19:53:39 GMT 2023
PRIMARY
PUBCHEM
117821692
Created by admin on Sat Dec 16 19:53:39 GMT 2023 , Edited by admin on Sat Dec 16 19:53:39 GMT 2023
PRIMARY
CAS
1637254-93-3
Created by admin on Sat Dec 16 19:53:39 GMT 2023 , Edited by admin on Sat Dec 16 19:53:39 GMT 2023
PRIMARY