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Product Overview

Product Code

TRC-M341803

CAS Number

116666-63-8

Product Format

Neat

Molecular Formula

C29H38FN3O3 . 2HCl

Molecular Weight

568.55

Product Categories

Calcium Channel, TRC, Epilepsy, Parkinson's, Stroke, Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Alternate CAS Number

Free Base: 116644-53-2

Documentation

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Product Information

Chemical Data

Analyte Name

Mibefradil Dihydrochloride

CAS Number

116666-63-8

Molecular Formula

C29H38FN3O3 . 2HCl

Molecular Weight

568.55

Accurate Mass

567.2431

SMILES

Cl.Cl.COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc4cc(F)ccc4[C@@H]1C(C)C

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

IUPAC

[(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

Alternate CAS Number

Free Base: 116644-53-2

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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