Ezetimibe Tetrahydropyran Impurity - ≥98% , CAS No.1296129-15-1

CAS: 1296129-15-1 Cat. No.: E357349 분자식: C₂₄H₂₁F₂NO₃ 분자량: 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

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

(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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504772095
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772095
• 정식 스마일: 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
• 이성체 SMILES: 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
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Light sensitive
• 분자량: 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