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Product Overview

Product Code

TRC-A727000

CAS Number

92714-23-3

Product Format

Neat

Molecular Formula

C21 H28 N O3 . Br

Molecular Weight

422.36

API Family

Hyoscine Butylbromide

Product Categories

TRC, Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials , Impurity Reference Materials

Product Type

Impurity, Metabolite, Synthesis tool

Alternate CAS Number

Free amine: 786598-71-8

Documentation

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Product Information

Chemical Data

Analyte Name

Apohyoscine Butylbromide

CAS Number

92714-23-3

Molecular Formula

C21 H28 N O3 . Br

Molecular Weight

422.36

Accurate Mass

421.1253

SMILES

[Br-].CCCC[N@@+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)C(=C)c4ccccc4

InChI

InChI=1S/C21H28NO3.BrH/c1-4-5-11-22(3)17-12-16(13-18(22)20-19(17)25-20)24-21(23)14(2)15-9-7-6-8-10-15;/h6-10,16-20H,2,4-5,11-13H2,1,3H3;1H/q+1;/p-1/t16-,17-,18+,19-,20+,22+;

IUPAC

(9-butyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-phenylprop-2-enoate;bromide

Alternate CAS Number

Free amine: 786598-71-8

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Hyoscine Butylbromide

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Apobuscopan

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