Anodyne| DHE | |
|---|---|
| Molecular structure via molpic based on CDK |
| Physical properties [] | |
|---|---|
| Molecular mass | 583.7 g/mol [1] |
| Solubility | 2.29e-01 g/L [1] |
| Predicted LogP | 2.4 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C33H37N5O5 [1] |
| IUPAC name | (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide [1] |
| 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 [1] |
| InChI | InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1 [1] |
| InChIKey | LUZRJRNZXALNLM-JGRZULCMSA-N [1] |
Dihydroergotamine
Dihydroergotamine (also known as 9,10-Dihydroergotamine, Dihidroergotamina, Dihydroergotaminum, Neomigran, Diidroergotamina, Agit, MAP0004, MAP-0004, 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman or 9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione)
Chemistry
Stereochemistry []
Dihydroergotamine is a achiral mixture
| Stereoisomers |
|---|
See also []
External links []
- Dihydroergotamine (Wikipedia)
- Dihydroergotamine (DrugBank)
- Dihydroergotamine / (R)-Dihydroergotamine (PubChem)
- Dihydroergotamine (ChEMBL)
- Dihydroergotamine (ChEBI)
- Dihydroergotamine (Common Chemistry)
- Dihydroergotamine (HMDB)
- Dihydroergotamine (KEGG)
- Dihydroergotamine (UNII)
- Dihydroergotamine (EPA DSSTox)
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 10531, Dihydroergotamine. Accessed July 27, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/10531