CHEBI:195198 - calmidazolium chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name calmidazolium chloride
ChEBI ID CHEBI:195198
Definition The organic choride salt of calmidazolium.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kalpana P
Supplier Information
Download Molfile XML SDF
Formula C31H23Cl6N2O.Cl
Net Charge 0
Average Mass 687.690
Monoisotopic Mass 683.96301
InChI InChI=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
InChIKey YGEIMSMISRCBFF-UHFFFAOYSA-M
SMILES [Cl-].ClC1=CC=C(C=C1)C(N1C=C[N+](CC(OCC2=C(Cl)C=C(Cl)C=C2)C2=CC=C(Cl)C=C2Cl)=C1)C1=CC=C(Cl)C=C1
Roles Classification
Biological Role(s): calmodulin antagonist
An antagonist that interferes with the action of the calcium-binding messenger protein calmodulin.
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-(2,4-dichlorobenzyloxy)ethyl]-1H-imidazolium chloride ChEBI
calmidazolium (chloride) ChEBI
R 24571 ChEBI
R-24571 ChEBI
R24571 ChEBI
Registry Number Type Source
57265-65-3 CAS Registry Number SUBMITTER
Citations Waiting for Citations Types Sources
1336971 PubMed citation Europe PMC
16358785 PubMed citation Europe PMC
19497364 PubMed citation Europe PMC
21063092 PubMed citation Europe PMC
2351670 PubMed citation Europe PMC
2422900 PubMed citation Europe PMC
2525464 PubMed citation Europe PMC
25946093 PubMed citation Europe PMC
27247146 PubMed citation Europe PMC
29979597 PubMed citation Europe PMC
2998560 PubMed citation Europe PMC
3113509 PubMed citation Europe PMC
33255391 PubMed citation Europe PMC
3409979 PubMed citation Europe PMC
35306933 PubMed citation Europe PMC
6135510 PubMed citation Europe PMC
6214426 PubMed citation Europe PMC
6272758 PubMed citation Europe PMC
6468629 PubMed citation Europe PMC
6584106 PubMed citation Europe PMC
7649279 PubMed citation Europe PMC
8491266 PubMed citation Europe PMC
Last Modified
04 May 2023