Furosemide Acyl-β-D-glucuronide - ≥95% , CAS No.72967-59-0

CAS: 72967-59-0 Cat. No.: F333660 Fórmula: C₁₈H₁₉ClN₂O₁₁S Peso molecular: 506.87

GRADE & PURITY ≥95%

Synonyms

Furosemide glucuronide | FUROSEMIDE ACYL-B-D-GLUCURONIDE | Furosemide Acyl-beta-D-glucuronide | Furosemide Acyl-?-D-glucuronide Allyl Ester | Furosemide acyl glucuronide | Furosemide glucuronate | (2S,3S,4S,5R,6S)-6-[4-chloro-2-(furan-2-ylmethylamino)-5-s

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Furosemide glucuronide | FUROSEMIDE ACYL-B-D-GLUCURONIDE | Furosemide Acyl-beta-D-glucuronide | Furosemide Acyl-?-D-glucuronide Allyl Ester | Furosemide acyl glucuronide | Furosemide glucuronate | (2S,3S,4S,5R,6S)-6-[4-chloro-2-(furan-2-ylmethylamino)-5-s

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)S(=O)(=O)N)Cl

IUPAC Name

(2S,3S,4S,5R,6S)-6-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

InChIKey

RNVHHPUYELVHRE-GLRLOKQVSA-N

INCHI

1S/C18H19ClN2O11S/c19-9-5-10(21-6-7-2-1-3-30-7)8(4-11(9)33(20,28)29)17(27)32-18-14(24)12(22)13(23)15(31-18)16(25)26/h1-5,12-15,18,21-24H,6H2,(H,25,26)(H2,20,28,29)/t12-,13-,14+,15-,18-/m0/s1

SMILES isoméricas

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)S(=O)(=O)N)Cl

Peso molecular

506.87

Reaxy-Rn

59458134

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=59458134&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Glucuronic acid derivatives
            • Level7 Glucuronides
              • Level8 O-glucuronides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
• Direct Parent: O-glucuronides
• Alternative Parents: Hexoses Aminobenzenesulfonamides 4-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Benzenesulfonyl compounds Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Secondary alkylarylamines Beta hydroxy acids and derivatives Chlorobenzenes Pyrans Aryl chlorides Oxanes Organosulfonamides Dicarboxylic acids and derivatives Aminosulfonyl compounds Vinylogous amides Furans Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Amino acids Carboxylic acids Oxacyclic compounds Acetals Polyols Organochlorides Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-o-glucuronide - O-glucuronide - Hexose monosaccharide - Aminobenzenesulfonamide - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Beta-hydroxy acid - Chlorobenzene - Halobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl chloride - Hydroxy acid - Monosaccharide - Dicarboxylic acid or derivatives - Organosulfonic acid amide - Benzenoid - Oxane - Monocyclic benzene moiety - Pyran - Aryl halide - Vinylogous amide - Furan - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Amino acid - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid - Acetal - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Secondary amine - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Amine - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO and Hot Water；Water (Slightly, Heated, Sonicated)
• Sensibilidade: Moisture sensitive.
• Ponto de fusão (°C): 143-146° C (dec.)
• Peso molecular: 506.900 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 506.04 Da
• Monoisotopic Mass: 506.04 Da
• Topological Polar Surface Area: 227.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 825.000
• 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: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 72967-59-0, the molecular formula is C18H19ClN2O11S, and the molecular weight is 506.87 g/mol. InChIKey RNVHHPUYELVHRE-GLRLOKQVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.