cas: 113-15-5 — see every product listed under this CAS number, including other names
Ergotamine (CAS 113-15-5) is a chemical reagent available from Chemat. Available pack sizes: All package sizes. Offered by: ZABRONIONE.
| brand | ZABRONIONE |
|---|---|
| catalog number | 113-15-5 |
| cas | 113-15-5 |
| size | All package sizes |
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| brand | size | price | |
|---|---|---|---|
| ZABRONIONE | All package sizes | 01.00 Pln |
Ergotamine is a peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10. It has a role as a mycotoxin, a non-narcotic analgesic, an alpha-adrenergic agonist, a serotonergic agonist, an oxytocic and a vasoconstrictor agent. It is a conjugate base of an ergotamine(1+).
Source: ChEBI
| Molecular formula | C33H35N5O5 |
|---|---|
| Molecular weight | 581.7 g/mol |
| IUPAC name | (6aR,9R)-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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
| InChIKey | XCGSFFUVFURLIX-VFGNJEKYSA-N |
| 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]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C |
Computed by PubChem (NCBI)