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Chemical structure of 7-Hydroxycoumarin glucuronide sodium salt

GC42606

7-Hydroxycoumarin glucuronide sodium salt

Also listed as 7-hydroxy Coumarin Glucuronide (sodium salt)

7-hydroxy Coumarin glucuronide is a 7-hydroxy coumarin phase II metabolite that can be used as a standard for the analysis of 7-hydroxy coumarin metabolism

ChemicalCAS168286-98-4MW360.2FormulaC15H13O9•Na
CAS number
168286-98-4
Molecular weight
360.2
Formula
C15H13O9•Na
Solubility
DMF： 14 mg/mL,DMSO： 16 mg/mL,Ethanol： 0·2 mg/mL,PBS (pH 7·2)： 5 mg/mL
InChIKey
SKHLGBDGEPDEME-KSOKONAESA-M
Catalogue number
GC42606
Brand
GLPBIO
Computed properties PubChem CID 23675380 · TPSA 146 Ų · H-bond donors 3 · H-bond acceptors 9
TPSA
146 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
25

SMILES C1=CC(=CC2=C1C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+]

Computed descriptors from PubChem (CID 23675380), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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