Analyte Name

1,2,3,4-Tetrahydro-6,7-dimethoxy-2-[(2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-oxo-2-propenyl]-isoquinoline Monohydrochloride

CAS Number

521984-48-5

Molecular Formula

C28 H27 N3 O3 . H Cl

Molecular Weight

489.993

Accurate Mass

489.182

SMILES

Cl.COc1cc2CCN(Cc2cc1OC)C(=O)\C=C\c3c(c4ccccc4)n(C)c5ncccc35

InChI

InChI=1S/C28H27N3O3.ClH/c1-30-27(19-8-5-4-6-9-19)22(23-10-7-14-29-28(23)30)11-12-26(32)31-15-13-20-16-24(33-2)25(34-3)17-21(20)18-31;/h4-12,14,16-17H,13,15,18H2,1-3H3;1H/b12-11+;

IUPAC

(E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one;hydrochloride

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat