Statements (25)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
gptkb:chemical_compound
alkaloid |
| gptkbp:ATCCode |
N02CA04
|
| gptkbp:CASNumber |
511-09-1
|
| gptkbp:chemicalFormula |
C35H39N5O5
|
| gptkbp:component |
ergot
|
| gptkbp:drugClass |
vasoconstrictor
|
| gptkbp:foundIn |
gptkb:Claviceps_purpurea
|
| gptkbp:hasInChIKey |
JQWQGHRQJXKJEE-IBOSZNHHSA-N
|
| gptkbp:hasUNII |
1J8F8V8A7D
|
| https://www.w3.org/2000/01/rdf-schema#label |
Ergocristine
|
| gptkbp:IUPACName |
(6aR,9R)-N-[(2S,5R,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
|
| gptkbp:meltingPoint |
176–178 °C
|
| gptkbp:molecularWeight |
609.71 g/mol
|
| gptkbp:PubChem_CID |
5464096
4576542 CHEMBL19001 |
| gptkbp:relatedTo |
gptkb:ergocryptine
gptkb:ergosine gptkb:ergometrine gptkb:ergotamine ergotoxine group |
| gptkbp:usedFor |
research chemical
|
| gptkbp:bfsParent |
gptkb:Ergot_alkaloids
|
| gptkbp:bfsLayer |
7
|