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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H25Cl2N5O3
Molecular Weight 502.393
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-Chloro-Afatinib

SMILES

CN(C)C\C=C\C(=O)NC1=CC2=C(C=C1O[C@H]3CCOC3)N=CN=C2NC4=CC(Cl)=C(Cl)C=C4

InChI

InChIKey=GMLBQFFEIVQHIS-CWDCEQMOSA-N
InChI=1S/C24H25Cl2N5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-18(25)19(26)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H25Cl2N5O3
Molecular Weight 502.393
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:48:20 GMT 2023
Edited
by admin
on Sat Dec 16 19:48:20 GMT 2023
Record UNII
KQ2BJM2JGT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Chloro-Afatinib
Common Name English
(S,E)-N-(4-((3,4-Dichlorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
Systematic Name English
2-Butenamide, N-[4-[(3,4-dichlorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-
Systematic Name English
(2E)-N-[4-[(3,4-Dichlorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide
Systematic Name English
Code System Code Type Description
FDA UNII
KQ2BJM2JGT
Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023
PRIMARY
PUBCHEM
154631188
Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023
PRIMARY
CAS
2223677-63-0
Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023
PRIMARY