Ethylbenzhydramine methyl iodide

Base Information

• Chemical Name: Ethylbenzhydramine methyl iodide
• CAS No.: 5982-52-5
• Molecular Formula: C20H28 N O . I
• Molecular Weight: 425.34689
• European Community (EC) Number: 227-792-2
• UNII: CW3OT0Y51W
• DSSTox Substance ID: DTXSID70975216
• Wikidata: Q27275853
• Metabolomics Workbench ID: 154549
• ChEMBL ID: CHEMBL3707204
• Mol file: 5982-52-5.mol

Synonyms:Metropin;Esyntin;Ethylbenzhydramine methyl iodide;emetonium iodide;Metropin (R);5982-52-5;EINECS 227-792-2;UNII-CW3OT0Y51W;CW3OT0Y51W;C20H28NO.I;(2-benzhydryloxyethyl)diethyl-methylammonium iodide;(2-(Diphenylmethoxy)ethyl)diethylmethylammonium iodide;Diethyl(2-(diphenylmethoxy)ethyl)methylammonium iodide;Ammonium, diethyl(2-(diphenylmethoxy)ethyl)methyl-, iodide;beta-(Diphenylmethoxy)-ethyl-methyl-diethyl-ammonium iodide;Ethanaminium, 2-(diphenylmethoxy)-N,N-diethyl-N-methyl-, iodide;[2-(DIPHENYLMETHOXY)ETHYL]DIETHYLMETHYLAMMONIUM IODIDE;SCHEMBL2844650;CHEMBL3707204;DTXSID70975216;EMETONIUM IODIDE [WHO-DD];DB13769;LS-17369;ETHYLBENZHYDRAMINE METHYL IODIDE [MI];Q27275853;Ammonium, [2-(diphenylmethoxy)ethyl]diethylmethyl-, iodide;2-(Diphenylmethoxy)-N,N-diethyl-N-methylethan-1-aminium iodide

Chemical Property of Ethylbenzhydramine methyl iodide

Chemical Property:

• PSA: 9.23000
• LogP: 1.28300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 425.12156
• Heavy Atom Count: 23
• Complexity: 270

Purity/Quality:

99% ^*data from raw suppliers

ETHYLBENZHYDRAMINE METHYL IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](C)(CC)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.[I-]