Meclofenamic Acid-d4 , CAS No.1185072-18-7

CAS: 1185072-18-7 Cat. No.: M341274 Summenformel: C₁₄H₇D₄Cl₂NO₂ Molekulargewicht: 300.17

Synonyms

J-003795 | HY-117275S | 2-(2,6-Dichloro-3-methylanilino)(~2~H_4_)benzoic acid | 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoic Acid-d4 | 2,3,4,5-tetradeuterio-6-(2,6-dichloro-3-methylanilino)benzoic acid | Meclofenamic Acid-d4 | N-(2,6-Dichloro-m-tolyl)ant

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Meclofenamic Acid-d4 is an anti-inflammatory and antipyretic.

Specifications

Synonyme

J-003795 | HY-117275S | 2-(2,6-Dichloro-3-methylanilino)(~2~H_4_)benzoic acid | 2-[(2,6-Dichloro-3-methylphenyl)amino]benzoic Acid-d4 | 2,3,4,5-tetradeuterio-6-(2,6-dichloro-3-methylanilino)benzoic acid | Meclofenamic Acid-d4 | N-(2,6-Dichloro-m-tolyl)ant

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Namen und Kennungen

Kanonisches Lächeln

CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl

IUPAC Name

2,3,4,5-tetradeuterio-6-(2,6-dichloro-3-methylanilino)benzoic acid

InChIKey

SBDNJUWAMKYJOX-QFFDRWTDSA-N

INCHI

1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)/i2D,3D,4D,5D

Isomere SMILES

[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)NC2=C(C=CC(=C2Cl)C)Cl)[2H])[2H]

Molekulargewicht

300.17

Reaxy-Rn

2221428

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2221428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Aminobenzoic acids and derivatives
          • Ebene6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: Benzoic acids Dichlorobenzenes Benzoyl derivatives Aniline and substituted anilines Aminotoluenes Primary aromatic amines Aryl chlorides Vinylogous amides Amino acids Secondary amines Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Benzoic acid - Benzoyl - 1,3-dichlorobenzene - Aniline or substituted anilines - Aminotoluene - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Primary aromatic amine - Vinylogous amide - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organonitrogen compound - Organic oxide - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Water
• Schmelzpunkt (°C): 246-249°C (lit.)
• Molekulargewicht: 300.200 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 299.042 Da
• Monoisotopic Mass: 299.042 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 327.000
• Isotope Atom Count: 4
• 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