Naltrexone
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular Identity
Naltrexone
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
PubChem CID: 5360515
Naltrexone is an organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A -opioid receptor antagonist, it is used to treat alcohol dependence. It has a role as a central nervous system depressant, a xenobiotic, a mu-opioid receptor antagonist, an environmental contaminant and an antidote to opioid poisoning. It is an organic heteropentacyclic compound, a member of cyclopropanes and a morphinane-like compound. It is a conjugate base of a naltrexone(1+).
2D Structure
Properties
C20H23NO4
Molecular Formula
341.40
Molecular Weight
g/mol
341.1627
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
70
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
621
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)OIsomeric SMILES
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)OSynonyms(20)
naltrexone16590-41-3VivitrolVivitrexCelupanNaltrexonaN-CyclopropylmethylnoroxymorphoneNaltrexonumNemexinN-Cyclopropylmethyl-14-hydroxydihydromorphinoneDTXSID404631317-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-oneUM-7925S6W795CQM
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Naltrexone
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