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Mibefradil dihydrochloride

CAT: 1410-M22557-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Mibefradil dihydrochloride is an blocker of calcium channel with moderate selectivity for T-type Ca2+ channels (T-type and L-type currents with IC50s of 2.7 μM and 18.6 μM, respectively) . Mibefradil dihydrochloride inhibits reversibly the T- and L-type currents with IC50 values of 2.7 and 18.6 μM, respectively.
CAS Number
116666-63-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
568.55
Molecular Formula
C29H40Cl2FN3O3
Notes
Research use only, not for human use.
Receptor
T-type calcium channel|L-type calcium channel

Chemical Information

Mibefradil Dihydrochloride

See also: Mibefradil (has active moiety).

CAS Number116666-63-8
PubChem CID60662
IUPAC Name[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate;dihydrochloride
Molecular FormulaC29H40Cl2FN3O3
Molecular Weight568.5
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity709
SMILES
CC(C)[C@H]1C2=C(CC[C@@]1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F.Cl.Cl
InChI
InChI=1S/C29H38FN3O3.2ClH/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26;;/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32);2*1H/t28-,29-;;/m0../s1
InChIKey
MTJLQTFHJIHXIX-GDUXWEAWSA-N
Chemical Structure
2D Structure
2D structure of Mibefradil Dihydrochloride
CAS: 116666-63-8
CID: 60662
Formula: C29H40Cl2FN3O3
MW: 568.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass567.2430757
Monoisotopic Mass567.2430757
Topological Polar Surface Area67.5 Ų
Heavy Atom Count38
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

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TRC-M341803-25MGMibefradil Dihydrochloride
HY-15553A-01Mibefradil (dihydrochloride)
M341800Mibefradil Dihydrochloride Hydrate
A12482-25Mibefradil dihydrochloride 25mg
A12482-1Mibefradil dihydrochloride 1mg
A12482-10Mibefradil dihydrochloride 10mg
A12482-5Mibefradil dihydrochloride 5mg
HY-15553BMibefradil (dihydrochloride hydrate)

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