7-Hydroxy Warfarin - ≥97% , CAS No.17834-03-6

CAS: 17834-03-6 Cat. No.: H136112 分子式: C₁₉H₁₆O₅ 分子量: 324.327 EC番号: 621-110-0

GRADE & PURITY ≥97%

Synonyms

7-Hydroxywarfarin|17834-03-6|7-Hydroxy Warfarin|2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-|4,7-DIHYDROXY-3-(3-OXO-1-PHENYLBUTYL)CHROMEN-2-ONE|(R)-7-Hydroxy Warfarin|B92SFW09LJ|4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one|

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

This Material can be used for the metabolic assays of (S)-warfarin.

Specifications

同義語

7-Hydroxywarfarin | 17834-03-6 | 7-Hydroxy Warfarin | 2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)- | 4,7-DIHYDROXY-3-(3-OXO-1-PHENYLBUTYL)CHROMEN-2-ONE | (R)-7-Hydroxy Warfarin | B92SFW09LJ | 4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one |

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• パブケム・シド: 488201694
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488201694
• カノニカル・スマイル: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)O
• IUPAC Name: 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
• InChIKey: SKFYEJMLNMTTJA-UHFFFAOYSA-N
• INCHI: 1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21-22H,9H2,1H3
• 異性体SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)O
• 分子量: 324.327
• Reaxy-Rn: 1659008
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1659008&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxycoumarins
• Alternative Parents: 4-hydroxycoumarins 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Lactones Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-hydroxycoumarin - 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
• 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 324.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 324.1 Da
• Monoisotopic Mass: 324.1 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 532.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 17834-03-6, the molecular formula is C19H16O5, and the molecular weight is 324.327 g/mol. InChIKey SKFYEJMLNMTTJA-UHFFFAOYSA-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.