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

CAS: 61618-27-7 Cat. No.: A425106 Summenformel: C₁₅H₁₂NO₃·H₂O·Na Molekulargewicht: 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

Übersicht

An antibacterial agent.

Specifications

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528763296

Kanonisches Lächeln

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

Isomere SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)[O-].O.[Na+]

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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