CH5424802 (Alectinib) Hydrochloride

Analyte Name

Alectinib hydrochloride

CAS Number

1256589-74-8

Molecular Formula

C30 H34 N4 O2 . Cl H

Molecular Weight

519.08

Accurate Mass

518.2449

SMILES

Cl.CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6

InChI

InChI=1S/C30H34N4O2.ClH/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29;/h5-6,15-17,21,32H,4,7-14H2,1-3H3;1H

IUPAC

9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile;hydrochloride

Alternate CAS Number

Free base: 1256580-46-7

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Impurity

Product Format

Neat

Impurity Type

Intermediate

Purity

>95% (HPLC)