dihydroergotamine

Compound Identifiers & Properties

CAS

511-12-6

PubChem CID

171369777

SMILES

C[C@@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@@H]3[C@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5C[C@H]6[C@H](CC7=CNC8=CC=CC6=C78)N(C5)C

Canonical SMILES

CN1C[C@@H](C(=O)N[C@]2(C)O[C@]3(O)[C@H]4CCCN4C(=O)[C@@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21