CHEBI:134687 - naltrexone hydrochloride

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ChEBI Name naltrexone hydrochloride
ChEBI ID CHEBI:134687
Definition A hydrochloride obtained by reaction of oxycodone with one molar equivalent of hydrochloric acid. it is a μ-opioid receptor antagonist that is used to treat alcohol dependence.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H24ClNO4
Net Charge 0
Average Mass 377.863
Monoisotopic Mass 377.13939
InChI InChI=1S/C20H23NO4.ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;/h3-4,11,15,18,22,24H,1-2,5-10H2;1H/t15-,18+,19+,20-;/m1./s1
InChIKey RHBRMCOKKKZVRY-ITLPAZOVSA-N
SMILES C1=2C[C@@H]3[C@@]4(CCC([C@H]5[C@@]4(C1=C(C(=CC2)O)O5)CCN3CC6CC6)=O)O.Cl
Roles Classification
Biological Role(s): mu-opioid receptor antagonist
Any compound that exhibits antagonist activity at the mu-opioid receptor
Application(s): mu-opioid receptor antagonist
Any compound that exhibits antagonist activity at the mu-opioid receptor
antidote to opioid poisoning
A role borne by a molecule that acts to counteract or neutralise the deleterious effects of opioids.
central nervous system depressant
A loosely defined group of drugs that tend to reduce the activity of the central nervous system.
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ChEBI Ontology
Outgoing naltrexone hydrochloride (CHEBI:134687) has part naltrexone(1+) (CHEBI:134688)
naltrexone hydrochloride (CHEBI:134687) has role μ-opioid receptor antagonist (CHEBI:50137)
naltrexone hydrochloride (CHEBI:134687) has role antidote to opioid poisoning (CHEBI:90755)
naltrexone hydrochloride (CHEBI:134687) has role central nervous system depressant (CHEBI:35488)
naltrexone hydrochloride (CHEBI:134687) is a hydrochloride (CHEBI:36807)
Incoming Troxyca ER (CHEBI:134679) has part naltrexone hydrochloride (CHEBI:134687)
IUPAC Names
(5α,17R)-17-(cyclopropylmethyl)-3,14-dihydroxy-6-oxo-4,5-epoxymorphinan-17-ium chloride
17-(cyclopropylmethyl)-3,14-dihydroxy-4,5α-epoxymorphinan-6-one hydrochloride
Synonyms Sources
17-(Cyclopropylmethyl)-4,5-alpha-epoxy-3,14-dihydroxy-morphinan-6-one hydrochloride ChemIDplus
N-Cyclopropylmethyl-noroxymorphone hydrochloride ChemIDplus
naltrexone monohydrochloride ChEBI
naltrexone.HCl ChEBI
Manual Xrefs Databases
D02095 KEGG DRUG
DB00704 DrugBank
Naltrexone Wikipedia
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Registry Numbers Types Sources
16676-29-2 CAS Registry Number ChemIDplus
3580333 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017