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Product Overview

Product Code

TRC-A187825

CAS Number

5027-67-8

Product Format

Neat

Molecular Formula

C19H24BrNO5

Molecular Weight

426.3

API Family

Scopolamine

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Alternate CAS Number

Free base: 6820-79-7

Documentation

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Product Information

Chemical Data

Analyte Name

O-Acetyl Scopolamine Hydrobromide

CAS Number

5027-67-8

Molecular Formula

C19H24BrNO5

Molecular Weight

426.3

Accurate Mass

425.0838

SMILES

O=C([C@H](COC(C)=O)C1=CC=CC=C1)O[C@H]2C[C@H]3[C@H](O4)[C@H]4[C@@H](C2)N3C.Br

InChI

InChI=1S/C19H23NO5.BrH/c1-11(21)23-10-14(12-6-4-3-5-7-12)19(22)24-13-8-15-17-18(25-17)16(9-13)20(15)2;/h3-7,13-18H,8-10H2,1-2H3;1H/t13?,14-,15-,16+,17-,18+;/m1./s1

IUPAC

[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-acetyloxy-2-phenylpropanoate;hydrobromide

Alternate CAS Number

Free base: 6820-79-7

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Scopolamine

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