Alectinib-d8

Analyte Name

Alectinib-d8

CAS Number

1256585-15-5

Molecular Formula

C30 D8 H26 N4 O2

Molecular Weight

490.66

Accurate Mass

490.3184

SMILES

[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C2CCN(CC2)c3cc4c(cc3CC)C(=O)c5c([nH]c6cc(ccc56)C#N)C4(C)C)C1([2H])[2H]

InChI

InChI=1S/C30H34N4O2/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/i11D2,12D2,13D2,14D2

IUPAC

9-ethyl-6,6-dimethyl-8-[4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-1-piperidyl]-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

Unlabelled CAS Number

1256580-46-7

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)