Analyte Name

Neratinib Dimethylamine-N-oxide (M7)

CAS Number

1376615-55-2

Molecular Formula

C30 H29 Cl N6 O4

Molecular Weight

573.042

Accurate Mass

572.194

SMILES

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\C[N+](C)(C)[O-]

InChI

InChI=1S/C30H29ClN6O4/c1-4-40-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2,3)39)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)41-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+

IUPAC

(E)-4-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]amino]-N,N-dimethyl-4-oxobut-2-en-1-amine oxide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat