CHEBI:7465 - naltrexone

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ChEBI Name naltrexone
ChEBI ID CHEBI:7465
Definition An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A μ-opioid receptor antagonist, it is used to treat alcohol dependence.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H23NO4
Net Charge 0
Average Mass 341.40096
Monoisotopic Mass 341.163
InChI InChI=1S/C20H23NO4/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/t15-,18+,19+,20-/m1/s1
InChIKey DQCKKXVULJGBQN-XFWGSAIBSA-N
SMILES Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC1CC1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): mu-opioid receptor antagonist

xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): mu-opioid receptor antagonist

central nervous system depressant
A loosely defined group of drugs that tend to reduce the activity of the central nervous system.
antidote to opioid poisoning
A role borne by a molecule that acts to counteract or neutralise the deleterious effects of opioids.
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ChEBI Ontology
Outgoing naltrexone (CHEBI:7465) has role μ-opioid receptor antagonist (CHEBI:50137)
naltrexone (CHEBI:7465) has role antidote to opioid poisoning (CHEBI:90755)
naltrexone (CHEBI:7465) has role central nervous system depressant (CHEBI:35488)
naltrexone (CHEBI:7465) has role environmental contaminant (CHEBI:78298)
naltrexone (CHEBI:7465) has role xenobiotic (CHEBI:35703)
naltrexone (CHEBI:7465) is a cyclopropanes (CHEBI:51454)
naltrexone (CHEBI:7465) is a morphinane-like compound (CHEBI:83818)
naltrexone (CHEBI:7465) is a organic heteropentacyclic compound (CHEBI:38164)
naltrexone (CHEBI:7465) is conjugate base of naltrexone(1+) (CHEBI:134688)
Incoming naltrexone(1+) (CHEBI:134688) is conjugate acid of naltrexone (CHEBI:7465)
IUPAC Name
3,14-dihydroxy-17-(cyclopropylmethyl)-4,5α-epoxymorphinan-6-one
INN Source
naltrexone ChemIDplus
Synonyms Sources
17-(Cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-one ChemIDplus
17-(Cyclopropylmethyl)-4,5α-epoxy-3,14-dihydroxymorphinan-6-one ChemIDplus
N-Cyclopropylmethyl-14-hydroxydihydromorphinone ChemIDplus
N-Cyclopropylmethylnoroxymorphone ChemIDplus
Naltrexone KEGG COMPOUND
Database Links Databases
1765 DrugCentral
C07253 KEGG COMPOUND
D05113 KEGG DRUG
DB00704 DrugBank
HMDB0014842 HMDB
LSM-3962 LINCS
Naltrexone Wikipedia
US3332950 Patent
View more database links
Registry Numbers Types Sources
16590-41-3 CAS Registry Number KEGG COMPOUND
16590-41-3 CAS Registry Number ChemIDplus
16590-41-3 CAS Registry Number NIST Chemistry WebBook
3596648 Beilstein Registry Number Beilstein
3596648 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017