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CHEBI:92607 - (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

ChEBI IDCHEBI:92607
ChEBI Name(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC20H25N3O2
Net Charge0
Average Mass339.439
Monoisotopic Mass339.19468
SMILESCC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4ncc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
InChIKeyUNBRKDKAWYKMIV-QWQRMKEZSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CHEBI:92607) is a ergoline alkaloid (CHEBI:60529)
Synonyms  Source
methylergometrinDrugCentral
methylergometrine maleateDrugCentral
methylergobasinDrugCentral
methergenDrugCentral
methylergonovine maleateDrugCentral
methylergobasineDrugCentral
Manual XrefsDatabases
LSM-2758LINCS
1764DrugCentral
HMDB0014497HMDB
Registry NumbersSources
CAS:113-42-8DrugCentral