5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt trihydrate
CAS No: 370100-64-4,129541-41-9
Synonyms: X-Glucuronide trihydrateX-GlcA Na
MDL No: MFCD01861962
Chemical Formula: C14H12BrClNNaO7?3H2O
Molecular Weight: 498.64
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CAS Number |
129541-41-9; 370100-64-4 |
Product Name |
5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt |
IUPAC Name |
sodium;6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate |
Molecular Formula |
C14H12BrClNNaO7 |
Molecular Weight |
444.59 |
InChI |
InChI=1S/C14H13BrClNO7.Na/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;/h1-3,9-12,14,17-20H,(H,21,22);/q;+1/p-1 |
InChI Key |
IBLSVGDGSKUDCT-UHFFFAOYSA-M |
SMILES |
C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+] |
COA:
Product name: 5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt
M.F.: C14H12BrClNNaO7.XH2O M.W.: 498.64
Batch No: 20120425 Quantity: 10g
Items
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Standards
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Results
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Appearance
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White to off-white powder
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Complies
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Solubility
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Soluble in hot water, insoluble in ether
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Complies
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NMR and MS
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Should comply
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Comply
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Identification
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IR and HPLC
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Complies
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Water (K.F.)
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Max. 10%
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6.7%
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Heavy metal
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Max. 20ppm
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Complies
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Residue on ignition
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Max. 0.5%
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0.1%
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TLC
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One spot
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One spot
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Assay by HPLC
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Min. 98%
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98.3%
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*Substrate for assay of ?-glucuronidase activity.