7-Hydroxycoumarin glucuronide sodium salt - ≥98% , CAS No.168286-98-4

CAS: 168286-98-4 Cat. No.: H338882 Peso molecular: 360.25 Número EC: 634-111-6 PubChem CID: 23675380

GRADE & PURITY ≥98%

Synonyms

7-Hydroxycoumarin glucuronide sodium salt | 7-Hydroxy coumarin glucuronide (sodium salt) | A-D-Glucuronide Sodium Salt | MFCD00674902 | 7-Hydroxy Coumarin beta-D-Glucuronide Sodium Salt | 7-Hydroxycoumarin glucuronide sodium salt is known as a 7-hydroxy c

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

7-Hydroxycoumarin glucuronide sodium salt is a labelled metabolite of Coumarin and 7-hydroxycoumarin phase II. 7-Hydroxycoumarin glucuronide sodium salt can be used as a standard for the analysis of 7-hydroxy coumarin metabolism. 7-Hydroxycoumarin glucuronide sodium salt was one of the eventually formed metabolites following a 1 hour incubation experiment with individual probe substrates, such as Chlorzoxazone and 7-hydroxycoumarin. The measured concentration of formed 7-Hydroxycoumarin glucuronide sodium salt can be indicative of the presence of UGT enzyme after exposure of HepaRG to the original probe substrate. 7-Hydroxycoumarin glucuronide sodium salt was undetectable in an LC-MS/MS analysis test in AR-CALUX.

Application：

7-Hydroxycoumarin glucuronide sodium salt can be used as a standard for the analysis of 7-hydroxycoumarin metabolites；Phase II (UDP-GT) metabolite of 7-hydroxycoumarin；Useful as a pharmacokinetic standard in metabolic studies.

Specifications

Sinónimos

7-Hydroxycoumarin glucuronide sodium salt | 7-Hydroxy coumarin glucuronide (sodium salt) | A-D-Glucuronide Sodium Salt | MFCD00674902 | 7-Hydroxy Coumarin beta-D-Glucuronide Sodium Salt | 7-Hydroxycoumarin glucuronide sodium salt is known as a 7-hydroxy c

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504769604
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769604
• Sonrisas canónicas: C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)C(=O)[O-])O)O)O.[Na+]
• IUPAC Name: sodium;(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxyoxane-2-carboxylate
• InChIKey: SKHLGBDGEPDEME-KSOKONAESA-M
• INCHI: 1S/C15H14O9.Na/c16-9-4-2-6-1-3-7(5-8(6)23-9)22-15-12(19)10(17)11(18)13(24-15)14(20)21;/h1-5,10-13,15,17-19H,(H,20,21);/q;+1/p-1/t10-,11-,12+,13-,15+;/m0./s1
• Isómeros 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+]
• WGK Alemania: 3
• PubChem CID: 23675380
• Peso molecular: 360.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives
      • Subclass Coumarin glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Coumarin glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarin glycosides
• Alternative Parents: Phenolic glycosides O-glucuronides O-glycosyl compounds 1-benzopyrans Pyranones and derivatives Beta hydroxy acids and derivatives Benzenoids Oxanes Monosaccharides Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Lactones Polyols Carboxylic acids Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic sodium salts Carbonyl compounds Organic oxides Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin-7-o-glycoside - Coumarin o-glycoside - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Beta-hydroxy acid - Pyranone - Benzenoid - Pyran - Hydroxy acid - Oxane - Monosaccharide - Heteroaromatic compound - Carboxylic acid salt - Secondary alcohol - Lactone - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Acetal - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organooxygen compound - Alcohol - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: DMSO, Water (Slightly, Heated, Sonicated)
• Sensibilidad: Moisture Sensitive
• Peso molecular: 360.250 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 360.046 Da
• Monoisotopic Mass: 360.046 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 539.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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