Etipirium iodide

Base Information

• Chemical Name: Etipirium iodide
• CAS No.: 3478-15-7
• Molecular Formula: C21H26 N O3 . I
• Molecular Weight: 467.34051
• European Community (EC) Number: 222-453-5
• UNII: D6FH7ALQ18
• DSSTox Substance ID: DTXSID40956259
• Wikidata: Q27276174
• NCI Thesaurus Code: C65578
• ChEMBL ID: CHEMBL2106207
• Mol file: 3478-15-7.mol

Synonyms:Etipirium iodide;IMPE;3478-15-7;Etipirium iodide [INN];Etipirii iodidum;Iodure d'etipirium;Ioduro de etipirio;Etipirii iodidum [INN-Latin];Iodure d'etipirium [INN-French];Ioduro de etipirio [INN-Spanish];EINECS 222-453-5;UNII-D6FH7ALQ18;D6FH7ALQ18;Pyrrolidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, benzilate;1-(2-Hydroxyethyl)-1-methylpyrrolidinium iodide benzilate (ester);1-(2-((Hydroxydiphenylacetyl)oxy)ethyl)-1-methylpyrrolidinium iodide;2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate;iodide;1-(2-Hydroxyethyl)-1-methylpyrrolidinium iodide, benzilate;Pyrrolidinium, 1-(2-((hydroxydiphenylacetyl)oxy)ethyl)-1-methyl-, iodide;Pyrrolidinium, 1-[2-[(hydroxydiphenylacetyl)oxy]ethyl]-1-methyl-, iodide;SCHEMBL916033;CHEMBL2106207;C21H26NO3.I;DTXSID40956259;LS-138402;Q27276174;1-(2-{[Hydroxy(diphenyl)acetyl]oxy}ethyl)-1-methylpyrrolidin-1-ium iodide

Chemical Property of Etipirium iodide

Chemical Property:

• Melting Point: 147-148 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 46.53000
• Density: g/cm³
• LogP: -0.33110
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 467.09574
• Heavy Atom Count: 26
• Complexity: 414

Purity/Quality:

99% ^*data from raw suppliers

ETIPIRIUM IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-]