CHEBI:7465 - naltrexone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C20H23NO4
Net Charge 0
Average Mass 341.40096
Monoisotopic Mass 341.16271
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
Any compound that exhibits antagonist activity at the mu-opioid receptor
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
Any compound that exhibits antagonist activity at the mu-opioid receptor
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.
View more via ChEBI Ontology
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
Manual Xrefs 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
17023477 PubMed citation Europe PMC
24107112 PubMed citation Europe PMC
24659754 PubMed citation Europe PMC
27690505 PubMed citation Europe PMC
27700187 PubMed citation Europe PMC
27787292 PubMed citation Europe PMC
27813192 PubMed citation Europe PMC
27875802 PubMed citation Europe PMC
27922226 PubMed citation Europe PMC
27936293 PubMed citation Europe PMC
27987236 PubMed citation Europe PMC
28011389 PubMed citation Europe PMC
28029718 PubMed citation Europe PMC
28044452 PubMed citation Europe PMC
28061017 PubMed citation Europe PMC
28068780 PubMed citation Europe PMC
28106937 PubMed citation Europe PMC
28118565 PubMed citation Europe PMC
28130024 PubMed citation Europe PMC
28144772 PubMed citation Europe PMC
28153651 PubMed citation Europe PMC
28161142 PubMed citation Europe PMC
28168894 PubMed citation Europe PMC
28184294 PubMed citation Europe PMC
Last Modified
22 February 2017