Afatinib Dimer

Analyte Name

Afatinib Dimer

Molecular Formula

C48 H50 Cl2 F2 N10 O6

Molecular Weight

971.877

Accurate Mass

970.326

SMILES

CN(C)C\C=C\C(=O)Nc1cc2c(ncnc2cc1O[C@H]3CCOC3)N(C(CN(C)C)CC(=O)Nc4cc5c(Nc6ccc(F)c(Cl)c6)ncnc5cc4O[C@H]7CCOC7)c8ccc(F)c(Cl)c8

InChI

InChI=1S/C48H50Cl2F2N10O6/c1-60(2)13-5-6-45(63)58-42-20-34-40(22-44(42)68-32-12-15-66-25-32)54-27-56-48(34)62(29-8-10-38(52)36(50)17-29)30(23-61(3)4)18-46(64)59-41-19-33-39(21-43(41)67-31-11-14-65-24-31)53-26-55-47(33)57-28-7-9-37(51)35(49)16-28/h5-10,16-17,19-22,26-27,30-32H,11-15,18,23-25H2,1-4H3,(H,58,63)(H,59,64)(H,53,55,57)/b6-5+/t30?,31-,32-/m0/s1

IUPAC

3-(3-chloro-N-[6-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-yl]-4-fluoroanilino)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)butanamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat