Drugs Information: Ergotamine
Basic Information
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| ID | DDInter665 | |
| Drug Type | small molecule | |
| Molecular Formula | C33H35N5O5 | |
| Molecular Weight | 581.673 | |
| Description | Ergotamine is a alpha-1 selective adrenergic agonist vasoconstrictor used to treat migraines with or without aura and cluster headaches. | |
| ATC Classification | N02CA02 N02CA52 N02CA72 | |
| IUPAC Name | (4R,7R)-N-[(1S,2S,4R,7S)-7-Benzyl-2-Hydroxy-4-Methyl-5,8-Dioxo-3-Oxa-6,9-Diazatricyclo[7.3.0.0^{2,6}]Dodecan-4-Yl]-6-Methyl-6,11 | |
| InChI | Inchi=1S/C33H35N5O5/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/H3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/T21-,25-,26+,27+,32-,33+/M1/S1 | |
| InChI Key | XCGSFFUVFURLIX-VFGNJEKYSA-N | |
| Canonical SMILES | [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O | |
| Useful Links | DrugBank ChEMBL PubChem | |
Interactions with Ergotamine
| Severity level | ID | Name | Mechanism | Detail |
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