Analyte Name

Tarloxotinib Bromide

CAS Number

1636180-98-7

Molecular Formula

C24 H24 Br Cl N9 O3 . Br

Molecular Weight

681.767

Accurate Mass

679.006

SMILES

[Br-].Cn1cnc(c1C[N+](C)(C)C\C=C\C(=O)Nc2cc3c(Nc4ccc(Cl)c(Br)c4)ncnc3cn2)[N+](=O)[O-]

InChI

InChI=1S/C24H23BrClN9O3.BrH/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15;/h4-7,9-11,13-14H,8,12H2,1-3H3,(H-,27,28,29,31,32,36);1H/b5-4+;

IUPAC

[(E)-4-[[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxobut-2-enyl]-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;bromide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat