Nalmefene
(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Identity
Nalmefene
(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
PubChem CID: 5284594
Nalmefene is a morphinane alkaloid.
2D Structure
Properties
C21H25NO3
Molecular Formula
339.40
Molecular Weight
g/mol
339.1834
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
52.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
618
Complexity
SMILES
Canonical SMILES
SMILES: C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)OIsomeric SMILES
SMILES: C=C1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)OSynonyms(20)
nalmefeneNalmetrene55096-26-9NalmefenoORF-11676NalmefenumORF 11676DTXSID8023347TOV02TDP9ISRD174JKB-121SRD-174ORF 1167ORF-1167(5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinon-3,14-diol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nalmefene
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