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

COA

Cas Number: 1185072-18-7
Molecular Weight: 300.17
PubChem CID: 46782107

In stock

Item Number

M341274

Grouped product items
SKU	Size	Availability	Price	Qty
M341274-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$266.90

an anti-inflammatory and antipyretic

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Basic Description

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 Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Meclofenamic Acid-d4 is an anti-inflammatory and antipyretic.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Aminobenzoic acids and derivatives
        Level6 Aminobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
Description	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
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

Names and Identifiers

IUPAC Name	2,3,4,5-tetradeuterio-6-(2,6-dichloro-3-methylanilino)benzoic acid
INCHI	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
InChIKey	SBDNJUWAMKYJOX-QFFDRWTDSA-N
Smiles	CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])C(=O)O)NC2=C(C=CC(=C2Cl)C)Cl)[2H])[2H]
Molecular Weight	300.17
Reaxy-Rn	2221428
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2221428&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in Water
Melt Point(°C)	246-249°C (lit.)
Molecular Weight	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 Å²
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

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