Compound: U-69593
SMILES: O=C(N([C@@H]1[C@@H](N2CCCC2)C[C@@]3(OCCC3)CC1)C)Cc4ccccc4
InChIKey: PGZRDDYTKFZSFR-ONTIZHBOSA-N
Synonyms: U-69593, U69593, U 69593, U 69,593, J5S4K6TKTG, N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide, n-methyl-2-phenyl-n-[(5r,7s,8s)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]dec-8-yl]acetamide, Benzeneacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, (5alpha,7alpha,8beta)-(-)-, CHEBI:73357, U-69,593, Benzeneacetamide, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, benzeneacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, N-methyl-2-phenyl-N-((5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro(4.5)dec-8-yl)acetamide, N-methyl-2-phenyl-N-((5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro(4.5)decan-8-yl)acetamide, RefChem:933724, 96744-75-1, DTXSID3046326, N-Methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-8-yl)benzeneacetamide, [3H]U69593, NCGC00163179-01, (+)-N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide, N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide, U069593, U69,593, DTXCID1026326, (5alpha,7alpha,8beta)-(-)-N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide, CAS-96744-75-1, UNII-J5S4K6TKTG, N-methyl-2-phenyl-N-((5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl)acetamide, (+)-(5alpha,7alpha,8beta)-N-Methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-benzeneacetamide, PDSP2_001518, [3H]-U69593, U-69593, solid, SCHEMBL726034, CHEMBL440765, GTPL1655, GTPL1656, BDBM21130, GLXC-06505, WDA74475, Tox21_112026, AKOS037643567, Tox21_112026_1, NCGC00163179-02, NCGC00163179-03, AS-16910, HY-12363, CS-0011105, NS00097763, H27823, 1-Oxaspiro[4.5]decane, benzeneacetamide deriv., U69-593, Q7862883, N-Methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)benzeneacetamide, Benzeneacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]- (9CI), Benzeneacetamide, N-methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, [5R-(5alpha,7alpha,8beta)]-, U 69593;U69593;Benzeneacetamide, N-methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, [5R-(5,7,8)]-; 1-Oxaspiro[4.5]decane, benzeneacetamide deriv.
Theoretical properties:
molecular_formula: C22H32N2O2
molecular_weight: 356.5 g/mol
exact_mass: 356.246378268 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 26
topological_polar_surface_area: 32.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: U69593 is a 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. It has a role as a diuretic, a kappa-opioid receptor agonist and an anti-inflammatory agent. It is an organic heterobicyclic compound, a monocarboxylic acid amide, an oxaspiro compound and a N-alkylpyrrolidine.
chebi: A monocarboxylic acid amide obtained by formal condensation between the carboxy group of phenylacetic acid and the secodary amino group of (5<i>R</i>,7<i>S</i>,8<i>S</i>)-<em>N</em>-methyl-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-amine.
chembl: U-69593 is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: U-69,593 is a drug which acts as a potent and selective κ1-opioid receptor agonist. In animal studies it has been shown to produce antinociception, anti-inflammation, anxiolysis (at low doses), respiratory depression, and diuresis, while having little effect on gastrointestinal motility. It also inhibits the peripheral, though not central secretion of oxytocin and vasopressin in rats.