Spiradoline

Base Information

• Chemical Name: Spiradoline
• CAS No.: 87151-85-7
• Molecular Formula: C22H30Cl2N2O2
• Molecular Weight: 425.3918
• UNII: N18ZH0M4NP
• DSSTox Substance ID: DTXSID1048679
• Nikkaji Number: J257.590F
• Wikipedia: Spiradoline
• Wikidata: Q7577706
• NCI Thesaurus Code: C152417
• Pharos Ligand ID: 3DSNLFLM3UVH
• Metabolomics Workbench ID: 153644
• ChEMBL ID: CHEMBL70586
• Mol file: 87151-85-7.mol

Synonyms:spiradoline;U 62066;U-62,066E;U62,066E

Chemical Property of Spiradoline

Chemical Property:

• Vapor Pressure: 1.05E-12mmHg at 25°C
• Boiling Point: 563.1°Cat760mmHg
• Flash Point: 294.3°C
• PSA: 32.78000
• Density: 1.27g/cm³
• LogP: 4.49830
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble14mg/mL
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 424.1684336
• Heavy Atom Count: 28
• Complexity: 557

Purity/Quality:

97% ^*data from raw suppliers

U62066 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl
• Isomeric SMILES: CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl
• Recent ClinicalTrials: Proof Of Mechanism Study To Determine Efficacy Of PF-04455242 In Blocking Spiradoline (PF-00345768) Stimulated Prolactin Release
• Uses: Analgesic. U 62066 is a selective κ-opioid agonist. It exhibits analgesic, diuretic and antitussive properties.