Dapagliflozin impurity - ≥99% , CAS No.960404-86-8

CAS: 960404-86-8 Cat. No.: D648629 Summenformel: C₂₁H₂₅ClO₇ Molekulargewicht: 424.87 PubChem CID: 59648701

GRADE & PURITY ≥99%

Synonyms

2GLW9C3QQ3 | (2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | Hydroxy dapagliflozin | F82423 | HY-128723 | D-Glucose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]- | 1-C-(4-Chloro-3-((4-ethoxyphenyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Dapagliflozin impurity is an enantiomer of Dapagliflozin which is a sodium-glucose transporter 2 inhibitor.

Form:Solid

Specifications

Synonyme

2GLW9C3QQ3 | (2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | Hydroxy dapagliflozin | F82423 | HY-128723 | D-Glucose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]- | 1-C-(4-Chloro-3-((4-ethoxyphenyl

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Dapagliflozin impurity is an enantiomer of Dapagliflozin which is a sodium-glucose transporter 2 inhibitor.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3(C(C(C(C(O3)CO)O)O)O)O)Cl
• IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
• InChIKey: KYDGWGYAUCJZDV-ADAARDCZSA-N
• INCHI: 1S/C21H25ClO7/c1-2-28-15-6-3-12(4-7-15)9-13-10-14(5-8-16(13)22)21(27)20(26)19(25)18(24)17(11-23)29-21/h3-8,10,17-20,23-27H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
• Isomere SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)Cl
• PubChem CID: 59648701
• Molekulargewicht: 424.87

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Glycosyl compounds
          • Ebene6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Diphenylmethanes Hexoses Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Oxanes Aryl chlorides Secondary alcohols Hemiacetals 1,2-diols Oxacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Diphenylmethane - Hexose monosaccharide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Secondary alcohol - Hemiacetal - 1,2-diol - Ether - Organoheterocyclic compound - Oxacycle - Polyol - Hydrocarbon derivative - Organohalogen compound - Organochloride - Alcohol - Primary alcohol - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 25 mg/mL (58.84 mM; Need ultrasonic)
• Molekulargewicht: 424.900 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 424.129 Da
• Monoisotopic Mass: 424.129 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 515.000
• 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