2’-Epi-9,10-dihydroergotamine

• CAT Number: R041683
• CAS Number: 5550-75-4
• Molecular Formula: C30H34N2O4
• Molecular Weight: 486.612
• Purity: ≥95%
• Synonyms: (2’β,5’α)-9,10-Dihydro-12’-hydroxy-2’-methyl-5’-(phenylmethyl)-ergotaman-3’,6’,18-trione; 2’-Epidihydroergotamine; Aci-Dihydroergotamine
• Storage: Store at RT
• IUPAC Name: 1-[4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
• InChI: InChI=1S/C30H34N2O4/c33-25(21-35-29-13-5-9-23-7-1-3-11-27(23)29)19-31-15-17-32(18-16-31)20-26(34)22-36-30-14-6-10-24-8-2-4-12-28(24)30/h1-14,25-26,33-34H,15-22H2
• InChIKey: LKWBMXGQWBQVQD-UHFFFAOYSA-N
• SMILES: C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)CC(COC4=CC=CC5=CC=CC=C54)O

2’-Epi-9,10-dihydroergotamine (CAT: R041683) is a chemical compound related to ergot alkaloids. Ergot alkaloids are naturally occurring compounds found in the ergot fungus, which can infect grains such as rye and wheat. This specific compound, 2’-Epi-9,10-dihydroergotamine, is a derivative of dihydroergotamine, a medication used to treat migraine headaches and cluster headaches.

Reference

1.French, W. N., and Agathe Wehrli. "Thin‐layer chromatography of ergot alkaloids in pharmaceutical preparations." Journal of pharmaceutical sciences 54.10 (1965): 1515-1516.