Basic Information
ID DDInter665
Drug Type small molecule
Molecular Formula C33H35N5O5
Molecular Weight 581.662
CAS Number 113-15-5
Description A vasoconstrictor found in ergot of Central Europe. It is an alpha-1 selective adrenergic agonist and is commonly used in the treatment of migraine disorders.
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-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
InChI 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 ChEBI PubChem Substance KEGG Compound KEGG Drug ChemSpider BindingDB PharmGKB Therapeutic Targets Database Wikipedia ChEMBL ZINC
Interactions with Ergotamine
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Interactions with compound preparation
Multi-DRUG trade Multi-DRUG Drug type Warning Note