Ezetimibe Ketone - ≥98% , CAS No.191330-56-0

CAS: 191330-56-0 Cat. No.: E337231 Fórmula: C₂₄H₁₉F₂NO₃ Peso molecular: 407.41 Número EC: 606-241-3

GRADE & PURITY ≥98%

Synonyms

F19352 | 9D3ASE5ZPY | EZM-K | Ezetimibe Intermediate-X | 1-(4-fluorophenyl)-3-(R)-[2-(4-fluorobenzoyl)ethyl]4-(S)-(4-hydroxyphenyl)azetidin-2-one | A880380 | DTXSID10430935 | Ezetimibe Ketone | J-012369 | UNII-9D3ASE5ZPY | (3R,4S)-1-(4-Fluorophenyl)-3-[3-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Ezetimibe Ketone is the phase-I metabolite of Ezetimibe .

Specifications

Sinónimos

F19352 | 9D3ASE5ZPY | EZM-K | Ezetimibe Intermediate-X | 1-(4-fluorophenyl)-3-(R)-[2-(4-fluorobenzoyl)ethyl]4-(S)-(4-hydroxyphenyl)azetidin-2-one | A880380 | DTXSID10430935 | Ezetimibe Ketone | J-012369 | UNII-9D3ASE5ZPY | (3R,4S)-1-(4-Fluorophenyl)-3-[3-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ACTIVATOR

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504764868

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764868

Sonrisas canónicas

C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)F)CCC(=O)C4=CC=C(C=C4)F)O

IUPAC Name

(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-hydroxyphenyl)azetidin-2-one

InChIKey

UEPZDXMEEKCJSP-FYYLOGMGSA-N

INCHI

1S/C24H19F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21,23,28H,13-14H2/t21-,23-/m1/s1

Isómeros SMILES

C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CCC(=O)C4=CC=C(C=C4)F)O

Peso molecular

407.41

Reaxy-Rn

19863934

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19863934&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactams
      • Subclass Beta lactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Monobactams
• Alternative Parents: Alkyl-phenylketones Butyrophenones Phenylazetidines Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Tertiary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monobactam - Alkyl-phenylketone - Butyrophenone - 1-phenylazetidine - 2-phenylazetidine - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Fluorobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Ketone - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): >57° C (dec.)
• Peso molecular: 407.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 407.133 Da
• Monoisotopic Mass: 407.133 Da
• Topological Polar Surface Area: 57.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 606.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 191330-56-0, the molecular formula is C24H19F2NO3, and the molecular weight is 407.41 g/mol. InChIKey UEPZDXMEEKCJSP-FYYLOGMGSA-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.