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CHEBI:73357 - U69593

ChEBI IDCHEBI:73357
ChEBI NameU69593
Stars
DefinitionA monocarboxylic acid amide obtained by formal condensation between the carboxy group of phenylacetic acid and the secodary amino group of (5R,7S,8S)-N-methyl-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-amine.
Last Modified6 March 2014
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC22H32N2O2
Net Charge0
Average Mass356.510
Monoisotopic Mass356.24638
SMILESCN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1
InChIInChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
InChIKeyPGZRDDYTKFZSFR-ONTIZHBOSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
kappa-opioid receptor agonist  A compound that exhibits agonist activity at the κ-opioid receptor.
Applications:
diuretic  An agent that promotes the excretion of urine through its effects on kidney function.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
kappa-opioid receptor agonist  A compound that exhibits agonist activity at the κ-opioid receptor.
ChEBI Ontology
Outgoing Relation(s)
U69593 (CHEBI:73357) has role anti-inflammatory agent (CHEBI:67079)
U69593 (CHEBI:73357) has role diuretic (CHEBI:35498)
U69593 (CHEBI:73357) has role κ-opioid receptor agonist (CHEBI:59282)
U69593 (CHEBI:73357) is a N-alkylpyrrolidine (CHEBI:46775)
U69593 (CHEBI:73357) is a monocarboxylic acid amide (CHEBI:29347)
U69593 (CHEBI:73357) is a organic heterobicyclic compound (CHEBI:27171)
U69593 (CHEBI:73357) is a oxaspiro compound (CHEBI:37948)
IUPAC Name 
N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]dec-8-yl]acetamide
Synonyms  Source
U 69593ChemIDplus
(5α,7α,8β)-(−)-N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamideChemIDplus
U-69593ChemIDplus
U 69,593ChemIDplus
N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamideChemIDplus
Manual XrefsDatabases
U-69,593Wikipedia
Registry NumbersSources
Reaxys:7488908Reaxys
CAS:96744-75-1ChemIDplus
Citations