CHEBI:31892 - naloxone hydrochloride

ChEBI IDCHEBI:31892
ChEBI Namenaloxone hydrochloride
Stars
DefinitionA hydrochloride resulting from the formal reaction of equimolar amounts of naloxone and hydrogen chloride. A specific opioid antagonist, it is used to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.
Last Modified9 December 2015
DownloadsMolfile
FormulaC19H21NO4.HCl
Net Charge0
Average Mass363.841
Monoisotopic Mass363.12374
SMILESC=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl
InChIInChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m1./s1
InChIKeyRGPDIGOSVORSAK-STHHAXOLSA-N
Roles Classification
Biological Role:
mu-opioid receptor antagonist  Any compound that exhibits antagonist activity at the μ-opioid receptor
Applications:
antidote to opioid poisoning  A role borne by a molecule that acts to counteract or neutralise the deleterious effects of opioids.
mu-opioid receptor antagonist  Any compound that exhibits antagonist activity at the μ-opioid receptor
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)
naloxone hydrochloride (CHEBI:31892) has part naloxone(1+) (CHEBI:90756)
naloxone hydrochloride (CHEBI:31892) has role antidote to opioid poisoning (CHEBI:90755)
naloxone hydrochloride (CHEBI:31892) has role central nervous system depressant (CHEBI:35488)
naloxone hydrochloride (CHEBI:31892) has role μ-opioid receptor antagonist (CHEBI:50137)
naloxone hydrochloride (CHEBI:31892) is a hydrochloride (CHEBI:36807)
IUPAC Name 
17-allyl-3,14-dihydroxy-4,5α-epoxymorphinan-6-one hydrochloride
Synonyms  Source
(5α)-17-allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-one hydrochlorideIUPAC
(5α,17R)-17-allyl-3,14-dihydroxy-6-oxo-4,5-epoxymorphinan-17-ium chlorideIUPAC
(17R)-17-allyl-3,14-dihydroxy-6-oxo-4,5α-epoxymorphinan-17-ium chlorideIUPAC
Brand Name  Source
NarcanKEGG DRUG
Manual XrefsDatabases
D01340KEGG DRUG
DB01183DrugBank
Registry NumbersSources
Reaxys:3641068Reaxys
CAS:357-08-4ChemIDplus
CAS:357-08-4KEGG DRUG
Citations