Asimadoline

Base Information

• Chemical Name: Asimadoline
• CAS No.: 153205-46-0
• Molecular Formula: C27H30N2O2
• Molecular Weight: 414.54
• UNII: D0VK52NV5M
• DSSTox Substance ID: DTXSID60165285
• Nikkaji Number: J621.451G
• Wikipedia: Asimadoline
• Wikidata: Q4806990
• NCI Thesaurus Code: C72137
• Pharos Ligand ID: V92917A67CK5
• Metabolomics Workbench ID: 149395
• ChEMBL ID: CHEMBL1190199
• Mol file: 153205-46-0.mol

Synonyms:asimadoline;EMD 61 753;EMD 61753;EMD-61 753;EMD-61753;N-methyl-N--(1-phenyl-2-(3-hydroxypyrrolidin-1-yl)ethyl)-2,2-diphenylacetamide hydrochloride

Chemical Property of Asimadoline

Chemical Property:

• Vapor Pressure: 1.59E-15mmHg at 25°C
• Refractive Index: 1.617
• Boiling Point: 605.761 °C at 760 mmHg
• PKA: 14.79±0.20(Predicted)
• Flash Point: 320.153 °C
• PSA: 43.78000
• Density: 1.17 g/cm³
• LogP: 4.02270
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 414.230728204
• Heavy Atom Count: 31
• Complexity: 531

Purity/Quality:

99% ^*data from raw suppliers

Asimadoline(EMD-61753 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(CN1CCC(C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
• Isomeric SMILES: CN([C@H](CN1CC[C@@H](C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
• Recent ClinicalTrials: Safety, Pharmacokinetics and Preliminary Efficacy of Asimadoline in Pruritus Associated With Atopic Dermatitis
• Recent NIPH Clinical Trials: Modification of Neurotransmission of Brain-Gut Interactions