Ribavirin-13C5 , CAS No.1646818-35-0

CAS: 1646818-35-0 Cat. No.: R647452 Molecular Weight: 249.17 PubChem CID: 76973118

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ribavirin- 13 C 5 is the 13 C-labeled Ribavirin. Ribavirin (ICN-1229) is an antiviral agent against a broad spectrum of viruses including HCV , HIVl, and RSV .

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Specifications

Biochemical and Physiological Mechanisms

Ribavirin- 13 C 5 is the 13 C-labeled Ribavirin. Ribavirin (ICN-1229) is an antiviral agent against a broad spectrum of viruses including HCV , HIVl, and RSV .

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.

Names and Identifiers

• Canonical Smiles: C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
• IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
• InChIKey: IWUCXVSUMQZMFG-XYJHPSJVSA-N
• INCHI: 1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1/i1+1,3+1,4+1,5+1,8+1
• Isomeric SMILES: C1=NC(=NN1[13C@H]2[13C@@H]([13C@@H]([13C@H](O2)[13CH2]O)O)O)C(=O)N
• PubChem CID: 76973118
• Molecular Weight: 249.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Triazole ribonucleosides and ribonucleotides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Triazole ribonucleosides and ribonucleotides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazole ribonucleosides and ribonucleotides
• Alternative Parents: Glycosylamines 2-heteroaryl carboxamides Monosaccharides Triazoles Oxolanes Heteroaromatic compounds Secondary alcohols Primary carboxylic acid amides 1,2-diols Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-ribosyl-1,2,4-triazole - Glycosyl compound - N-glycosyl compound - 2-heteroaryl carboxamide - Monosaccharide - Azole - Heteroaromatic compound - Oxolane - Triazole - 1,2,4-triazole - 1,2-diol - Carboxamide group - Primary carboxylic acid amide - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triazole ribonucleosides and ribonucleotides. These are nucleoside derivatives containing a ribose (or deoxyribose) moiety which is N-glycosylated to a triazole. Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) 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