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CHEBI:82975 - naloxegol

ChEBI IDCHEBI:82975
ChEBI Namenaloxegol
Stars
DefinitionAn organic heteropentacyclic compound that is naloxone in which the keto group is replaced by a PEG moiety. Used for treatment of opioid-induced constipation.
Last Modified22 February 2017
Submittertmorrison
DownloadsMolfile
FormulaC34H53NO11
Net Charge0
Average Mass651.794
Monoisotopic Mass651.36186
SMILESC=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5
InChIInChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3/t28-,29+,32-,33-,34+/m0/s1
InChIKeyXNKCCCKFOQNXKV-ZRSCBOBOSA-N
Wikipedia
Roles Classification
Biological Roles:
cathartic  Any substance that accelerates defecation. Compare with laxatives, which are substances that ease defecation (usually by softening faeces). A substance can be both a laxative and a cathartic.
mu-opioid receptor antagonist  Any compound that exhibits antagonist activity at the μ-opioid receptor
Application:
mu-opioid receptor antagonist  Any compound that exhibits antagonist activity at the μ-opioid receptor
ChEBI Ontology
Outgoing Relation(s)
naloxegol (CHEBI:82975) has functional parent naloxone (CHEBI:7459)
naloxegol (CHEBI:82975) has parent hydride morphinan (CHEBI:35649)
naloxegol (CHEBI:82975) has role cathartic (CHEBI:75325)
naloxegol (CHEBI:82975) has role μ-opioid receptor antagonist (CHEBI:50137)
naloxegol (CHEBI:82975) is a aromatic ether (CHEBI:35618)
naloxegol (CHEBI:82975) is a organic heteropentacyclic compound (CHEBI:38164)
naloxegol (CHEBI:82975) is a phenols (CHEBI:33853)
naloxegol (CHEBI:82975) is a polyether (CHEBI:46774)
naloxegol (CHEBI:82975) is a tertiary alcohol (CHEBI:26878)
INN  Source
naloxegolKEGG DRUG
Synonyms  Source
NKTR118ChemIDplus
NKTR-118ChemIDplus
NKTR 118ChemIDplus
Manual XrefsDatabases
D10479KEGG DRUG
NaloxegolWikipedia
4832DrugCentral
Registry NumbersSources
Reaxys:14435712Reaxys
CAS:854601-70-0KEGG DRUG
CAS:854601-70-0ChemIDplus
Citations