Analyte Name

6-Nor-6-cyanodihydroergotamine

CAS Number

129882-18-4

Molecular Formula

C33H34N6O5

Molecular Weight

594.66

Accurate Mass

594.2591

SMILES

C[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C2)C#N)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O

InChI

InChI=1S/C33H34N6O5/c1-32(31(42)39-26(13-19-7-3-2-4-8-19)30(41)38-12-6-11-27(38)33(39,43)44-32)36-29(40)21-14-23-22-9-5-10-24-28(22)20(16-35-24)15-25(23)37(17-21)18-34/h2-5,7-10,16,21,23,25-27,35,43H,6,11-15,17H2,1H3,(H,36,40)/t21-,23-,25-,26+,27+,32-,33+/m1/s1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat