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Product Overview

Product Code

TRC-V128620

CAS Number

748810-28-8

Product Format

Neat

Molecular Formula

C20H31NO4 . HCl

Molecular Weight

385.9

Product Categories

TRC

Product Type

Impurity

Alternate CAS Number

794466-70-9

Documentation

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Product Information

Chemical Data

Analyte Name

Vernakalant Hydrochloride

CAS Number

748810-28-8

Molecular Formula

C20H31NO4 . HCl

Molecular Weight

385.9

Accurate Mass

385.202

SMILES

Cl.COc1ccc(CCO[C@@H]2CCCC[C@H]2N3CC[C@@H](O)C3)cc1OC

InChI

InChI=1S/C20H31NO4.ClH/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21;/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3;1H/t16-,17-,18-;/m1./s1

IUPAC

(3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride

Alternate CAS Number

794466-70-9

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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