Naltrexone Hydrochloride
(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;hydrochloride
Molecular Identity
Naltrexone Hydrochloride
(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;hydrochloride
PubChem CID: 5485201
Naltrexone hydrochloride is a hydrochloride obtained by reaction of oxycodone with one molar equivalent of hydrochloric acid. it is a -opioid receptor antagonist that is used to treat alcohol dependence. It has a role as a central nervous system depressant, a mu-opioid receptor antagonist and an antidote to opioid poisoning. It contains a naltrexone(1+).
2D Structure
Properties
C20H24ClNO4
Molecular Formula
377.90
Molecular Weight
g/mol
377.1394
Exact Mass
Da
70
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
621
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O.ClIsomeric SMILES
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O.ClSynonyms(20)
Naltrexone hydrochloride16676-29-2Naltrexone HclDepadenaltrexone.HClEn 1639AEN-1639AN-Cyclopropylmethyl-noroxymorphone hydrochlorideZ6375YW9SFEN-1639A (AS HYDROCHLORIDE)(5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride17-(Cyclopropylmethyl)-4,5-alpha-epoxy-3,14-dihydroxy-morphinan-6-one hydrochlorideNaltrexone hydrochloride (USP)Naltrexone hydrochloride [USP]CHEBI:134687
Data from PubChem (NCBI)
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