Apixaban Impurity 6 - analytical standard, ≥95% , CAS No.1074365-84-6

CAS: 1074365-84-6 Cat. No.: A1009114 Formula: C₂₆H₂₆N₄O₅ Molecular Weight: 474.500

GRADE & PURITY Analytical standard, ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

analytical standard, ≥95%

Storage

Room temperature

Grade

Analytical standard

Purity

≥95%

Names and Identifiers

Canonical Smiles

COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)OC

IUPAC Name

methyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

InChIKey

IHFSYYKSFUFOTJ-UHFFFAOYSA-N

INCHI

1S/C26H26N4O5/c1-34-20-12-10-19(11-13-20)30-24-21(23(27-30)26(33)35-2)14-16-29(25(24)32)18-8-6-17(7-9-18)28-15-4-3-5-22(28)31/h6-13H,3-5,14-16H2,1-2H3

Molecular Weight

474.500

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Phenylpyrazoles Methoxyanilines 2-heteroaryl carboxamides Anisoles Methoxybenzenes Phenoxy compounds Pyrazole carboxylic acids and derivatives Delta lactams Alkyl aryl ethers Piperidinones Methyl esters Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Tertiary amines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - Phenylpyrazole - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2-heteroaryl carboxamide - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Delta-lactam - Alkyl aryl ether - Piperidinone - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Pyrazole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Ether - Azacycle - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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

Chemical and Physical Properties

• Molecular Weight: 474.500 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 474.19 Da
• Monoisotopic Mass: 474.19 Da
• Topological Polar Surface Area: 94.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 793.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1074365-84-6, the molecular formula is C26H26N4O5, and the molecular weight is 474.500 g/mol. InChIKey IHFSYYKSFUFOTJ-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.