Meloxicam-d3 - Moligand™, ≥98 atom% D,≥98% , CAS No.942047-63-4

CAS: 942047-63-4 Cat. No.: M381268 Molecular Weight: 354.42 EC Number: 688-236-6

GRADE & PURITY Moligand™, ≥98 atom% D,≥98%

Synonyms

AKOS025310097 | Meloxicam D4 | Meloxicam D3 (2-methyl D3) 100 microg/mL in Acetonitrile | MS-25532 | Meloxicam-D3 0.1 mg/ml in Acetonitrile | SCHEMBL13323816 | Meloxicam D3 (2-methyl D3) | Mobicox-d3

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Meloxicam-d3 is deuterium labeled Meloxicam. Meloxicam is a non-steroidal antiinflammatory agent, inhibits COX activity, with IC50s of 0.49 µM and 36.6 µM for COX-2 and COX-1, respectively.

Specifications

Synonyms

AKOS025310097 | Meloxicam D4 | Meloxicam D3 (2-methyl D3) 100 microg/mL in Acetonitrile | MS-25532 | Meloxicam-D3 0.1 mg/ml in Acetonitrile | SCHEMBL13323816 | Meloxicam D3 (2-methyl D3) | Mobicox-d3

Specifications & Purity

Moligand™, ≥98 atom% D, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥98 atom% D, ≥98%

Names and Identifiers

• Canonical Smiles: CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
• IUPAC Name: 4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-2-(trideuteriomethyl)-1λ6,2-benzothiazine-3-carboxamide
• InChIKey: ZRVUJXDFFKFLMG-BMSJAHLVSA-N
• INCHI: 1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)/i2D3
• Isomeric SMILES: [2H]C([2H])([2H])N1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=NC=C(S3)C
• Alternate CAS: 71125-38-7（unlabeled）
• Molecular Weight: 354.42
• Reaxy-Rn: 5886369
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5886369&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazines
• Alternative Parents: Alpha amino acids and derivatives N-arylamides 2,5-disubstituted thiazoles Organosulfonamides Benzenoids 1,2-thiazines Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzothiazine - N-arylamide - 2,5-disubstituted 1,3-thiazole - Ortho-thiazine - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Vinylogous acid - Thiazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

• Solubility: Soluble in DMSO
• Molecular Weight: 354.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 354.054 Da
• Monoisotopic Mass: 354.054 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 628.000
• Isotope Atom Count: 3
• 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