Tiotropium bromide monohydrate CRS
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- structure.search.product.name Tiotropium bromide monohydrate CRS
- Product Code: EPY0001188
- CAS Number: 139404-48-1
- Brand: EDQM
Product Overview
Product Code
EPY0001188
CAS Number
Product Format
Neat
Regulatory Method
Monograph only
Molecular Formula
C19 H22 N O4 S2 . Br . H2 O
Molecular Weight
490.43
API Family
Tiotropium Bromide MonohydrateProduct Categories
Product Type
APIAlternate CAS Number
Analytical Method
Monograph only
Documentation
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Product Information
Analyte Data
Analyte Name
Tiotropium bromide hydrate
CAS Number
139404-48-1
Molecular Formula
C19 H22 N O4 S2 . Br . H2 O
Molecular Weight
490.43
Accurate Mass
489.0279
Flash Point
5
SMILES
O.[Br-].C[N+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)C(O)(c4cccs4)c5cccs5
InChI
InChI=1S/C19H22NO4S2.BrH.H2O/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H;1H2/q+1;;/p-1/t11-,12-,13+,16-,17+;;
IUPAC
(1R,2R,4S,5S,7s)-7-(2-hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide hydrate
Alternate CAS Number
Monohydrate: 411207-31-3
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
FRANCE
Product Type
API
Product Format
Neat
API Family
Analytical Method
Monograph only
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