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CHEBI:195198 - calmidazolium chloride

ChEBI IDCHEBI:195198
ChEBI Namecalmidazolium chloride
Stars
DefinitionThe organic choride salt of calmidazolium.
Last Modified4 May 2023
SubmitterKalpana P
DownloadsMolfile
FormulaC31H23Cl6N2O.Cl
Net Charge0
Average Mass687.709
Monoisotopic Mass683.96301
SMILESClc1ccc(C(c2ccc(Cl)cc2)n2cc[n+](CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1.[Cl-]
InChIInChI=1S/C31H23Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,19,30-31H,17-18H2;1H/q+1;/p-1
InChIKeyYGEIMSMISRCBFF-UHFFFAOYSA-M
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
calmodulin antagonist  An antagonist that interferes with the action of the calcium-binding messenger protein calmodulin.
ChEBI Ontology
Outgoing Relation(s)
calmidazolium chloride (CHEBI:195198) has part calmidazolium (CHEBI:75400)
calmidazolium chloride (CHEBI:195198) has role apoptosis inducer (CHEBI:68495)
calmidazolium chloride (CHEBI:195198) has role calmodulin antagonist (CHEBI:130181)
calmidazolium chloride (CHEBI:195198) is a organic chloride salt (CHEBI:36094)
IUPAC Name 
1-[bis(4-chlorophenyl)methyl]-3-{2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl}-1H-imidazol-3-ium chloride
Synonyms  Source
R 24571ChEBI
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-(2,4-dichlorobenzyloxy)ethyl]-1H-imidazolium chlorideChEBI
calmidazolium (chloride)ChEBI
R24571ChEBI
R-24571ChEBI
Registry NumbersSources
CAS:57265-65-3SUBMITTER
Citations