Molecular Identity
Nicergoline
[(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl]methyl 5-bromopyridine-3-carboxylate
PubChem CID: 34040
Nicergoline is an organonitrogen heterocyclic compound and an organic heterotetracyclic compound.
2D Structure
Properties
C24H26BrN3O3
Molecular Formula
484.40
Molecular Weight
g/mol
483.1157
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
56.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
680
Complexity
SMILES
Canonical SMILES
SMILES: CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)BrIsomeric SMILES
SMILES: CN1C[C@@H](C[C@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)BrSynonyms(20)
nicergoline27848-84-6NicotergolineNimergolineSermionergobelNicergolinacergodumduracebrolnicergolentNicergolinumVasospanErgotopMemoqCirco-Maren
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nicergoline
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