Basic information
- CAS
87151-85-7- Standard SMILES
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1- InChIKey
NYKCGQQJNVPOLU-ONTIZHBOSA-N- Molecular formula
- C22H30Cl2N2O2
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 424.1684336
Overview
Spiradoline has been investigated for the basic science of Bipolar Depression.
Names & identifiers
- Preferred name
- Spiradoline
- IUPAC
- 2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
- English name
- U-62066 (SPIRADOLINE MESYLATE) K-OPIOID AGONIST
- Molecular formula
- C22H30Cl2N2O2
- Molecular weight
- 425.39
Names & synonyms
SPIRADOLINE87151-85-7DTXSID1048679Spiradolinum2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamideN18ZH0M4NPEspiradolinaU-620662-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamideU-62,066E2-(3,4-dichlorophenyl)-N-methyl-N-((5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro(4.5)decan-8-yl)acetamide2-(3,4-dichlorophenyl)-N-methyl-N-((5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro(4.5)decan-8-yl)acetamide
Show more names
U-62066 solidSpiradolinum [latin]Espiradolina [spanish]Spiradoline mesylate saltU-62066 (SPIRADOLINE MESYLATE) K-OPIOID AGONISTBenzeneacetamide, 3,4-dichloro-N-methyl-N-[(5S,7R,8R)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, rel-(±)-(5α,7α,8β)-3,4-dichloro-n-methyl-n-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]benzeneacetamide mesylate salt
U62,066ERefChem:184723DTXCID301775320Spiradoline [INN]CHEMBL70586U 62066DTXCID1028605MLS002153429
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 557
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 563.07 · 563.070±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.272 · 1.272±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: soluble14mg/mL
- form
- solid
- pka
- 9.144 · 9.144±0.20(predicted)
- color
- white
- Water Solubility
- 2 O: · H2O: 14mg/mLmethanol: insoluble
- InChIKey
- FHEZDPDAYTVKKG-JLBKCEDKSA-N
- SMILES
- CS(O)(=O)=O.CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)Cc4ccc(Cl)c(Cl)c4
- FDA UNII
- 18 ZH0M4NP · N18ZH0M4NP
- UNSPSC Code
- 12352200 · 12352200
- NACRES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
Agents that promote the excretion of urine through their effects on kidney function.
Applications
UsesAnalgesic.
UsesU 62066 is a selective κ-opioid agonist. It exhibits analgesic, diuretic and antitussive properties.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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