Ezetimiba Impureza de tetrahidropirano - ≥98% , CAS No.1296129-15-1

CAS: 1296129-15-1 Cat. No.: E357349 Fórmula: C₂₄H₂₁F₂NO₃ Peso molecular: 409.43

GRADE & PURITY ≥98%

Synonyms

(2R,3R,6S)-N,6-Bis(4-fluorophenyl)tetrahydro-2-(4-hydroxyphenyl)-2H-pyran-3-carboxamide | Ezetimibe Tetrahydropyran Impurity | (2R,3R,6S)-N,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)oxane-3-carboxamide | 2H-Pyran-3-carboxamide, N,6-bis(4-fluorophenyl)tetra

Storage

Armazenar a 2-8°C, protegido da luz

Shipped In

Gelo húmido

Specifications

Sinónimos

(2R,3R,6S)-N,6-Bis(4-fluorophenyl)tetrahydro-2-(4-hydroxyphenyl)-2H-pyran-3-carboxamide | Ezetimibe Tetrahydropyran Impurity | (2R,3R,6S)-N,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)oxane-3-carboxamide | 2H-Pyran-3-carboxamide, N,6-bis(4-fluorophenyl)tetra

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, protegido da luz

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504772095
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772095
• Sorrisos canónicos: C1CC(OC(C1C(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)O)C4=CC=C(C=C4)F
• IUPAC Name: (2R,3R,6S)-N,6-bis(4-fluorophenyl)-2-(4-hydroxyphenyl)oxane-3-carboxamide
• InChIKey: IBDXWUJVRNPFPE-VJBWXMMDSA-N
• INCHI: 1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22-14-13-21(23(30-22)16-3-11-20(28)12-4-16)24(29)27-19-9-7-18(26)8-10-19/h1-12,21-23,28H,13-14H2,(H,27,29)/t21-,22+,23+/m1/s1
• SMILES isoméricas: C1C[C@H](O[C@H]([C@@H]1C(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)O)C4=CC=C(C=C4)F
• Peso molecular: 409.43
• Reaxy-Rn: 47464836
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47464836&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Oxanes Aryl fluorides Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anilide - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Oxane - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

• Sensibilidade: Light sensitive
• Peso molecular: 409.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 409.149 Da
• Monoisotopic Mass: 409.149 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 553.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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