2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;methanesulfonic acid

Base Information

• Chemical Name: 2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;methanesulfonic acid
• CAS No.: 133162-85-3
• Molecular Formula: C18H25Cl3N2O
• Molecular Weight: 391.76
• DSSTox Substance ID: DTXSID101017952
• ChEMBL ID: CHEMBL1513237
• Mol file: 133162-85-3.mol

Synonyms:133162-85-3;(-)-U-50488 METHANE SULFONATE;2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;methanesulfonic acid;(+/-) trans-U-50488 methanesulfonate;NCG-C00093883-01;D08QSN;CHEMBL1513237;DTXSID101017952;HMS3261O06;Tox21_500472;(y) trans-U-50488 methanesulfonate;(?) trans-U-50488 methanesulfonate;CCG-221776;LP00472;NCGC00093883-01;NCGC00261157-01;LS-191066;EU-0100472;(-)-U 50488H;D 8040;trans-( inverted question mark)-3,4-Dichloro-;(+/-)-TRANS-U-50488 METHANESULFONATE;SR-01000075483-3;( inverted question mark) trans-U-50488 methanesulfonate;N-methyl-N-[2-(1-pyrrolidinyl)-cyclohexyl]-benzeneacetamide methanesulfonate

Chemical Property of 2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;methanesulfonic acid

Chemical Property:

• PSA: 23.55000
• LogP: 5.14120
• Storage Temp.: 2-8°C
• Solubility.: H2O: 13 mg/mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 464.1303340
• Heavy Atom Count: 29
• Complexity: 520

Purity/Quality:

99%min ^*data from raw suppliers

(-)-U-50488 HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.CS(=O)(=O)O
• Isomeric SMILES: CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.CS(=O)(=O)O