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Mibefradil

CAT: 0926-FM178653-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FM178653-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
116644-53-2
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
Molecular Formula
C29H38FN3O3
Molecular Weight
495.63 g/mol
Controlled
No

Chemical Information

Mibefradil

Mibefradil is a member of tetralins. It has a role as a T-type calcium channel blocker.

CAS Number116644-53-2
PubChem CID60663
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
Molecular FormulaC29H38FN3O3
Molecular Weight495.6
XLogP5.8
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count36
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
InChI
InChI=1S/C29H38FN3O3/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)/t28-,29-/m0/s1
InChIKey
HBNPJJILLOYFJU-VMPREFPWSA-N
Chemical Structure
2D Structure
2D structure of Mibefradil
CAS: 116644-53-2
CID: 60663
Formula: C29H38FN3O3
MW: 495.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.6
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass495.28972024
Monoisotopic Mass495.28972024
Topological Polar Surface Area67.5 Ų
Heavy Atom Count36
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E7529-1mgMibefradil
TRC-M341803-25MGMibefradil Dihydrochloride
A12478-10Mibefradil 10mg
sc-487927Mibefradil hihydrochloride
HY-15553A-01Mibefradil (dihydrochloride)

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