Analyte Name

10-Demethoxynicergoline

CAS Number

57935-65-6

Molecular Formula

C23 H24 Br N3 O2

Molecular Weight

454.36

Accurate Mass

453.105

SMILES

CN1C[C@H](COC(=O)c2cncc(Br)c2)C[C@H]3[C@H]1Cc4cn(C)c5cccc3c45

InChI

InChI=1S/C23H24BrN3O2/c1-26-11-14(13-29-23(28)15-7-17(24)10-25-9-15)6-19-18-4-3-5-20-22(18)16(8-21(19)26)12-27(20)2/h3-5,7,9-10,12,14,19,21H,6,8,11,13H2,1-2H3/t14-,19-,21-/m1/s1

IUPAC

[(6aR,9R,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[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