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

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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
ChEBI ID CHEBI:92607
Stars This entity has been manually annotated by a third party.
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Formula C20H25N3O2
Net Charge 0
Average Mass 339.432
Monoisotopic Mass 339.19468
InChI InChI=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
InChIKey UNBRKDKAWYKMIV-QWQRMKEZSA-N
SMILES CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing (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 Sources
methergen DrugCentral
methergine DrugCentral
methylergobasin DrugCentral
methylergobasine DrugCentral
methylergobrevin DrugCentral
methylergometrin DrugCentral
methylergometrine maleate DrugCentral
methylergonovine DrugCentral
methylergonovine maleate DrugCentral
partergin DrugCentral
Manual Xrefs Databases
1764 DrugCentral
HMDB0014497 HMDB
LSM-2758 LINCS
View more database links
Registry Number Type Source
113-42-8 CAS Registry Number DrugCentral
Last Modified
22 February 2017