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> Main
CHEBI:195198 - calmidazolium chloride
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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
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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}-
1
H
-
imidazol-
3-
ium chloride
Synonyms
Sources
1-
[bis(4-
chlorophenyl)methyl]-
3-
[2-
(2,4-
dichlorophenyl)-
2-
(2,4-
dichlorobenzyloxy)ethyl]-
1
H
-
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
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