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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H25ClFN5O4
Molecular Weight 501.938
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Afatinib Impurity N-Oxide

SMILES

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

InChI

InChIKey=IABSYXLQTGEUIV-CWDCEQMOSA-N
InChI=1S/C24H25ClFN5O4/c1-31(2,33)8-3-4-23(32)30-21-11-17-20(12-22(21)35-16-7-9-34-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)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

Approval Year

Name Type Language
Afatinib Impurity N-Oxide
Common Name English
(2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethyloxidoamino)-2-butenamide
Systematic Name English
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethyloxidoamino)-, (2E)-
Systematic Name English
Code System Code Type Description
CAS
2413212-11-8
Created by admin on Sat Dec 16 19:48:51 GMT 2023 , Edited by admin on Sat Dec 16 19:48:51 GMT 2023
PRIMARY
PUBCHEM
76967686
Created by admin on Sat Dec 16 19:48:51 GMT 2023 , Edited by admin on Sat Dec 16 19:48:51 GMT 2023
PRIMARY
FDA UNII
BJ475R2M7W
Created by admin on Sat Dec 16 19:48:51 GMT 2023 , Edited by admin on Sat Dec 16 19:48:51 GMT 2023
PRIMARY