Molecular Identity
methylergonovine
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
PubChem CID: 8226
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is an ergoline alkaloid.
2D Structure
Properties
C20H25N3O2
Molecular Formula
339.40
Molecular Weight
g/mol
339.1947
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
68.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
549
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
methylergonovineMethylergometrineMethylergobasinMethylergobasineMethylergobrevinMethylergometrinMethylergonovinPartergin113-42-8BasofortinaErgotylMetilergometrinaMetherginMethylergometrinumErgometrine, methyl-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to methylergonovine
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