Amfenac Sodium Monohydrate - 10mM in DMSO , CAS No.61618-27-7

CAS: 61618-27-7 Cat. No.: A425106 Molecular Weight: 295.27

GRADE & PURITY 10mM in DMSO

Synonyms

Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, monohydrate | SCHEMBL20588 | Fenamate | C15H14NNaO4 | QZNJPJDUBTYMRS-UHFFFAOYSA-M | AHR-5850D | HY-17479A | N6,2-O-Dibutyryladenosine 3',5'-cyclic monophosphate | AC-2125 | Amfenac sodium H2O | Q2711420

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

An antibacterial agent.

Specifications

Synonyms

Benzeneacetic acid, 2-amino-3-benzoyl-, sodium salt, monohydrate | SCHEMBL20588 | Fenamate | C15H14NNaO4 | QZNJPJDUBTYMRS-UHFFFAOYSA-M | AHR-5850D | HY-17479A | N6, 2-O-Dibutyryladenosine 3', 5'-cyclic monophosphate | AC-2125 | Amfenac sodium H2O | Q2711420

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

An antibacterial agent.Non-steroidal analgesic anti-inflammatory drug with acetic acid moiety. Cyclooxygenase (COX) 1 and 2 inhibitor. Possesses both antipyretic and analgesic properties in vivo .

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)[O-].O.[Na+]
• IUPAC Name: sodium;2-(2-amino-3-benzoylphenyl)acetate;hydrate
• InChIKey: QZNJPJDUBTYMRS-UHFFFAOYSA-M
• INCHI: 1S/C15H13NO3.Na.H2O/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;;/h1-8H,9,16H2,(H,17,18);;1H2/q;+1;/p-1
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)[O-].O.[Na+]
• Molecular Weight: 295.27
• Reaxy-Rn: 13313120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13313120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Carboxylic acid salts Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Aryl ketone - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Ketone - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Primary amine - Organic zwitterion - Organic sodium salt - Organic salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• External Descriptors: hydrate

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: 295.260 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 295.082 Da
• Monoisotopic Mass: 295.082 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 342.000
• 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: 3

XLogP3