Analyte Name

Isonicergoline

CAS Number

58001-19-7

Molecular Formula

C24 H26 Br N3 O3

Molecular Weight

484.385

Accurate Mass

483.116

SMILES

CO[C@]12C[C@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc4cn(C)c5cccc2c45

InChI

InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21+,24-/m0/s1

IUPAC

[(6aR,9S,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-yl]methyl 5-bromopyridine-3-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat