Sulfamethoxazole-13C6 - ≥99% , CAS No.1196157-90-0

CAS: 1196157-90-0 Cat. No.: S650227 Molecular Weight: 259.23 EC Number: 689-544-3 PubChem CID: 71312389

GRADE & PURITY ≥99%

Synonyms

1196157-90-0 | Benzene-1,2,3,4,5,6-13C6-sulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)- | MS-23591 | DTXSID90746783 | Sulfamethoxazole-(phenyl-13C6), VETRANAL(TM), analytical standard | 4-Amino-N-(5-methyl-1,2-oxazol-3-yl)(~13~C_6_)benzene-1-sulfonamide |

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Overview

Sulfamethoxazole- 13 C 6 is a 13 C labeled Sulfamethoxazole. Sulfamethoxazole (Ro 4-2130) is a sulfonamide bacteriostatic antibiotic , used for bacterial infections. Sulfonamides is a competitive antagonist of para-aminobenzoic acid (PABA).

Form:Solid

Specifications

Synonyms

1196157-90-0 | Benzene-1, 2, 3, 4, 5, 6-13C6-sulfonamide, 4-amino-N-(5-methyl-3-isoxazolyl)- | MS-23591 | DTXSID90746783 | Sulfamethoxazole-(phenyl-13C6), VETRANAL(TM), analytical standard | 4-Amino-N-(5-methyl-1, 2-oxazol-3-yl)(~13~C_6_)benzene-1-sulfonamide |

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Sulfamethoxazole- 13 C 6 is a 13 C labeled Sulfamethoxazole. Sulfamethoxazole (Ro 4-2130) is a sulfonamide bacteriostatic antibiotic , used for bacterial infections. Sulfonamides is a competitive antagonist of para-aminobenzoic acid (PABA).

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
• IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
• InChIKey: JLKIGFTWXXRPMT-AHBHZWPESA-N
• INCHI: 1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)/i2+1,3+1,4+1,5+1,8+1,9+1
• Isomeric SMILES: CC1=CC(=NO1)NS(=O)(=O)[13C]2=[13CH][13CH]=[13C]([13CH]=[13CH]2)N
• Alternate CAS: 1196157-90-0
• PubChem CID: 71312389
• Molecular Weight: 259.23

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 Organosulfonamides Imidolactams Isoxazoles Heteroaromatic compounds Aminosulfonyl compounds Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Organosulfonic acid amide - Imidolactam - Azole - Isoxazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen 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