CHEBI:32091 - remifentanil hydrochloride

ChEBI IDCHEBI:32091
ChEBI Nameremifentanil hydrochloride
Stars
DefinitionThe monohydrochloride salt of remifentanil.
Last Modified14 December 2010
DownloadsMolfile
FormulaC20H29N2O5.Cl
Net Charge0
Average Mass412.914
Monoisotopic Mass412.17650
SMILESCCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCC(=O)OC)CC1.[Cl-]
InChIInChI=1S/C20H28N2O5.ClH/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2;/h5-9H,4,10-15H2,1-3H3;1H
InChIKeyWFBMIPUMYUHANP-UHFFFAOYSA-N
Roles Classification
Biological Roles:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
Applications:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
mu-opioid receptor agonist  A compound that exhibits agonist activity at the μ-opioid receptor.
sedative  A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
ChEBI Ontology
Outgoing Relation(s)
remifentanil hydrochloride (CHEBI:32091) has part remifentanil (CHEBI:8802)
remifentanil hydrochloride (CHEBI:32091) has role intravenous anaesthetic (CHEBI:38877)
remifentanil hydrochloride (CHEBI:32091) has role opioid analgesic (CHEBI:35482)
remifentanil hydrochloride (CHEBI:32091) has role sedative (CHEBI:35717)
remifentanil hydrochloride (CHEBI:32091) has role μ-opioid receptor agonist (CHEBI:55322)
remifentanil hydrochloride (CHEBI:32091) is a hydrochloride (CHEBI:36807)
IUPAC Names 
4-(methoxycarbonyl)-1-(3-methoxy-3-oxopropyl)-4-[phenyl(propanoyl)amino]piperidinium chloride
methyl 1-(3-methoxy-3-oxopropyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate hydrochloride
Synonym  Source
remifentanil HClChemIDplus
Brand Name  Source
UltivaKEGG DRUG
Manual XrefsDatabases
D01177KEGG DRUG
DB00899DrugBank
Registry NumbersSources
Reaxys:8660300Reaxys
CAS:132539-07-2KEGG DRUG
CAS:132539-07-2ChemIDplus