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Calmidazolium chloride

CAT: 0024-sc-201494Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-201494Size:10 mg
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CAS Number
57265-65-3

Chemical Information

Calmidazolium Chloride

Calmidazolium chloride is the organic choride salt of calmidazolium. It has a role as a calmodulin antagonist and an apoptosis inducer. It contains a calmidazolium.

CAS Number57265-65-3
PubChem CID644274
IUPAC Name1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium chloride
Molecular FormulaC31H23Cl7N2O
Molecular Weight687.7
Topological Polar Surface Area18
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count41
Formal Charge0
Complexity742
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)N3C=C[N+](=C3)CC(C4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)Cl.[Cl-]
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
Chemical Structure
2D Structure
2D structure of Calmidazolium Chloride
CAS: 57265-65-3
CID: 644274
Formula: C31H23Cl7N2O
MW: 687.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight687.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass685.960057
Monoisotopic Mass683.963007
Topological Polar Surface Area18 Ų
Heavy Atom Count41
Formal Charge0
Complexity742
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T10667-01Calmidazolium chloride
HY-103319-01Calmidazolium (chloride)
A19306-50Calmidazolium chloride 50mg
A19306-10Calmidazolium chloride 10mg
A19306-200Calmidazolium chloride 200mg
A19306-100Calmidazolium chloride 100mg
A19306-25Calmidazolium chloride 25mg
A19306-5Calmidazolium chloride 5mg
A19306-10mM-DCalmidazolium chloride 10mM * 1mL in DMSO
MBS5810824Calmidazolium (cation)

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