naltrexone (CHEBI:7465)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:7465 - naltrexone

Take structure to advanced search

ChEBI ID	CHEBI:7465
ChEBI Name	naltrexone
Stars
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.
Last Modified	22 February 2017
Downloads	Molfile

Formula	C20H23NO4
Net Charge	0
Average Mass	341.407
Monoisotopic Mass	341.16271
SMILES	O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
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

Wikipedia

Roles Classification

Chemical Role:	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:	mu-opioid receptor antagonist Any compound that exhibits antagonist activity at the μ-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.
Applications:	mu-opioid receptor antagonist Any compound that exhibits antagonist activity at the μ-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.

ChEBI Ontology

Outgoing Relation(s)
	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) has role μ-opioid receptor antagonist (CHEBI:50137)
	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 Relation(s)
Incoming Relation(s)	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	Source
Naltrexone	KEGG COMPOUND
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

Manual Xrefs	Databases
C07253	KEGG COMPOUND
D05113	KEGG DRUG
DB00704	DrugBank
US3332950	Patent
Naltrexone	Wikipedia
HMDB0014842	HMDB
LSM-3962	LINCS
1765	DrugCentral

Registry Numbers	Sources
Reaxys:3596648	Reaxys
CAS:16590-41-3	KEGG COMPOUND
CAS:16590-41-3	ChemIDplus
CAS:16590-41-3	NIST Chemistry WebBook

Citations