Calmidazolium
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Calmidazolium
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CAS No:
95013-41-5
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Formula:
C31H23Cl6N2O
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Chemical Name:
Calmidazolium
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Synonyms:
1H-Imidazolium,3-[bis(4-chlorophenyl)methyl]-1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-;1H-Imidazolium,1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-;3-[Bis(4-chlorophenyl)methyl]-1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazolium;Calmidazolium;97992-02-4
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CAS No:
Description
Calmidazolium is an imidazolium ion that is imidazolium cation substituted by a bis(4-chlorophenyl)methyl group at position 1 and a 2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 3. It acts as an inhibitor of calmodulin, a calcium binding messenger protein. It has a role as an inhibitor.
Drug Information
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)|Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)
1-(bis(chlorophenyl)methyl)-3-(2,4-dichloro-beta-(2,4-dichlorobenzyloxy)phenethyl)imidazolinium chloride
Computed Properties
Molecular Weight:652.2
XLogP3:10
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:9
Exact Mass:650.991204
Monoisotopic Mass:648.994155
Topological Polar Surface Area:18
Heavy Atom Count:40
Formal Charge:1
Complexity:742
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes