1427783-64-9

Basic information

• Product Name: (E)-1-cyclohexyl-2-benzoyl-3-(4-bromophenyl)guanidine
• CAS NO: 1427783-64-9
• Molecular Weight: 400.318
• Mol File: 1427783-64-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (E)-1-cyclohexyl-2-benzoyl-3-(4-bromophenyl)guanidine(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-1-cyclohexyl-2-benzoyl-3-(4-bromophenyl)guanidine(1427783-64-9)
• EPA Substance Registry System: (E)-1-cyclohexyl-2-benzoyl-3-(4-bromophenyl)guanidine(1427783-64-9)

Safety Data

• Hazardous Substances Data: 1427783-64-9(Hazardous Substances Data)

Upstream product

• 532-55-8 Benzoyl isothiocyanate 
• 19249-89-9 1-benzoyl-3-(4-bromophenyl)thiourea 
• 108-91-8 cyclohexylamine 
• 98-88-4 benzoyl chloride 

Relevant articles and documents

Experimental NMR and MS study of benzoylguanidines. Investigation of E/Z isomerism

Molecules containing the guanidinic nuclei possess several pharmacological applications, and knowing the preferred isomers of a potential drug is important to understand the way it operates pharmacologically. Benzoylguanidines were synthesized in satisfactory to good yields and characterized by NMR, Electrospray Ionization Mass Spectrometry (ESI-MS) and Fourrier Transform InfraRed Spectroscopy techniques (FTIR). E/Z isomerism of the guanidines was studied and confirmed by NMR analysis in solution (1H-13C Heteronuclear Single Quantum Coherence (HSQC) and Heteronuclear Multiple-Bond Correlation (HMBC), 1H-15N HMBC, 1H- 1H Correlation Spectroscopy (COSY) and Nuclear Overhauser Effect Spectroscopy (NOESY) experiments) at low temperatures. Compounds with p-Cl and p-Br aniline moiety exist mainly as Z isomer with a small proportion of E isomer, whereas compounds with p-NO2 moiety showed a decrease in proportion of isomer Z. The results are important for the application of these molecules as enzymatic inhibitors. Copyright