N1-Nornicergoline

Analyte Name

1-Demethylnicergoline

CAS Number

35264-46-1

Molecular Formula

C23 H24 Br N3 O3

Molecular Weight

470.36

Accurate Mass

469.1001

SMILES

CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc4c[nH]c5cccc2c45

InChI

InChI=1S/C23H24BrN3O3/c1-27-12-14(13-30-22(28)16-6-17(24)11-25-9-16)8-23(29-2)18-4-3-5-19-21(18)15(10-26-19)7-20(23)27/h3-6,9-11,14,20,26H,7-8,12-13H2,1-2H3/t14-,20-,23+/m1/s1

IUPAC

[(6aR,9R,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl 5-bromopyridine-3-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Nicergoline

Purity

>95% (HPLC)