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U-69593

CAT: 1106-BML-N705-0025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1106-BML-N705-0025Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96744-75-1
Certification
RUO
Target
Opioid receptor
Type
Ligand
Source
Synthetic.
Stability
As indicated on product label or CoA when stored as recommended. Store, as supplied, -20°C for up to 1 year. Store solutions at -20°C for up to 3 months.
Purity
≥99% (TLC)
Solubility
Soluble in 100% ethanol, 0.1N hydrogen chloride, or DMSO. Insoluble in water or 0.1N sodium hydroxide.
Molecular Formula
C 22 H 32 N 2 O 2
Molecular Weight
356.5
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Appearance
White solid.

Chemical Information

U-69593

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.

CAS Number96744-75-1
PubChem CID105104
IUPAC NameN-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
Molecular FormulaC22H32N2O2
Molecular Weight356.5
XLogP3
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity485
SMILES
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC=CC=C4
InChI
InChI=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
InChIKey
PGZRDDYTKFZSFR-ONTIZHBOSA-N
Chemical Structure
2D Structure
2D structure of U-69593
CAS: 96744-75-1
CID: 105104
Formula: C22H32N2O2
MW: 356.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass356.246378268
Monoisotopic Mass356.246378268
Topological Polar Surface Area32.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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