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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H21ClFN5O4
Molecular Weight 473.885
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N<SUP>2</SUP>-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-N<SUP>1</SUP>,N<SUP>1</SUP>-dimethylethanediamide

SMILES

CN(C)C(=O)C(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1O[C@H]4CCOC4

InChI

InChIKey=TXTARPMHKVXFGC-ZDUSSCGKSA-N
InChI=1S/C22H21ClFN5O4/c1-29(2)22(31)21(30)28-18-8-14-17(9-19(18)33-13-5-6-32-10-13)25-11-26-20(14)27-12-3-4-16(24)15(23)7-12/h3-4,7-9,11,13H,5-6,10H2,1-2H3,(H,28,30)(H,25,26,27)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H21ClFN5O4
Molecular Weight 473.885
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:55:06 GMT 2025
Edited
by admin
on Wed Apr 02 19:55:06 GMT 2025
Record UNII
ZEB2BWA4FQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N<SUP>2</SUP>-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-N<SUP>1</SUP>,N<SUP>1</SUP>-dimethylethanediamide
Systematic Name English
Afatinib Impurity CSEJXA
Preferred Name English
(S)-N<SUP>1</SUP>-(4-((3-Chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-N<SUP>2</SUP>,N<SUP>2</SUP>-dimethyloxalamide
Systematic Name English
Ethanediamide, N<SUP>2</SUP>-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-N<SUP>1</SUP>,N<SUP>1</SUP>-dimethyl-
Systematic Name English
Code System Code Type Description
CAS
2223677-66-3
Created by admin on Wed Apr 02 19:55:06 GMT 2025 , Edited by admin on Wed Apr 02 19:55:06 GMT 2025
PRIMARY
PUBCHEM
163197462
Created by admin on Wed Apr 02 19:55:06 GMT 2025 , Edited by admin on Wed Apr 02 19:55:06 GMT 2025
PRIMARY
FDA UNII
ZEB2BWA4FQ
Created by admin on Wed Apr 02 19:55:06 GMT 2025 , Edited by admin on Wed Apr 02 19:55:06 GMT 2025
PRIMARY