Methergine
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
Molecular Identity
Methergine
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
PubChem CID: 5281072
Methylergonovine Maleate is an ergoline alkaloid. It has a role as a geroprotector.
2D Structure
Properties
C24H29N3O6
Molecular Formula
455.50
Molecular Weight
g/mol
455.2056
Exact Mass
Da
143
TPSA
May have limited oral absorption
5
H-Bond Donors
7
H-Bond Acceptors
668
Complexity
SMILES
Canonical SMILES
SMILES: CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)OIsomeric SMILES
SMILES: CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)OSynonyms(20)
Methylergonovine maleate57432-61-8MethergineMaleic acid, methyl ergonovineIR84JPZ1RKNSC-757104DTXSID1023283Methylergonovine maleate (USP)Methylergonovine maleate [USP]NSC186067RefChem:55614DTXCID901476300260-734-4Ergoline-8-carboxamide, 9,10-didehydro-N-((1S)-1-(hydroxymethyl)propyl)-6-methyl-,(8beta)-,(2Z)-2-butenedioate(1:1)(salt)Methylergometrine maleate
Data from PubChem (NCBI)
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Drug Network
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