Sulfamethazine-d4 - ≥98%(CP),≥98 atom% D , CAS No.1020719-82-7

CAS: 1020719-82-7 Cat. No.: S330724 Molecular Weight: 282.35 PubChem CID: 45040438

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

Azolmetazin-d4 | 4-amino-N-(4,6-dimethylpyrimidin-2-yl)(?H?)benzene-1-sulfonamide | DTXSID90662196 | MS-24012 | 4-Amino-N-(4,6-dimethylpyrimidin-2-yl)(~2~H_4_)benzene-1-sulfonamide | 1020719-82-7 | Sulfadimidine-d4 | J-000615 | F91329 | AKOS040739370 | Su

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Sulfamethazine-d4 is a deuterium labeled Sulfamethazine (Sulfadimidine). Sulfamethazine is an antimicrobial that is widely used to treat and prevent various animal diseases (such as gastrointestinal and respiratory tract infections).

Specifications

Synonyms

Azolmetazin-d4 | 4-amino-N-(4, 6-dimethylpyrimidin-2-yl)(?H?)benzene-1-sulfonamide | DTXSID90662196 | MS-24012 | 4-Amino-N-(4, 6-dimethylpyrimidin-2-yl)(~2~H_4_)benzene-1-sulfonamide | 1020719-82-7 | Sulfadimidine-d4 | J-000615 | F91329 | AKOS040739370 | Su

Specifications & Purity

≥98%(CP), ≥98 atom% D

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.

Purity

≥98%(CP), ≥98 atom% D

Names and Identifiers

• Canonical Smiles: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C
• IUPAC Name: 4-amino-2,3,5,6-tetradeuterio-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
• InChIKey: ASWVTGNCAZCNNR-LNFUJOGGSA-N
• INCHI: 1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)/i3D,4D,5D,6D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)NC2=NC(=CC(=N2)C)C)[2H]
• Alternate CAS: 57-68-1(unlabelled)
• PubChem CID: 45040438
• Molecular Weight: 282.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Pyrimidines and pyrimidine derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Pyrimidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• 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

• Melt Point(°C): 189-192° C
• Molecular Weight: 282.360 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 282.109 Da
• Monoisotopic Mass: 282.109 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 377.000
• 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