Hyoscine Hydrobromide Trihydrate
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Product Overview
Product Code
LGCFOR0546.00
CAS Number
Product Format
Neat
Molecular Formula
C17 H21 N O4 . Br H . 3 H2 O
Molecular Weight
438.31
Product Categories
Additional phytochemical reference materials, LoGiCal, Tropane Alkaloids
Alternate CAS Number
Documentation
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Product Information
Analyte Data
Analyte Name
Hyoscine Hydrobromide Trihydrate
CAS Number
6533-68-2
Molecular Formula
C17 H21 N O4 . Br H . 3 H2 O
Molecular Weight
438.31
Accurate Mass
437.1049
SMILES
O.O.O.Br.CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4
InChI
InChI=1S/C17H21NO4.BrH.3H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;;;/h2-6,11-16,19H,7-9H2,1H3;1H;3*1H2/t11-,12-,13-,14+,15-,16+;;;;/m1..../s1
IUPAC
[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide
Alternate CAS Number
Parent compound: 51-34-3
Product Data
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Tariff Code
29349990
Product Format
Neat