Albendazole sulfone - Moligand™,≥98% , CAS No.75184-71-3

CAS: 75184-71-3 Cat. No.: A1420984 Molecular Weight: 297.33 EC Number: 642-064-8 PubChem CID: 53174

GRADE & PURITY Moligand™, ≥98%

Synonyms

Albendazole EP Impurity C | methyl N-(6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate | Albendazole-sulfone | Albendazole Impurity 3（Albendazole EP Impurity C） | ALBENDAZOLE SULFONE | Carbamic acid, N-[6-(propylsulfonyl)-1H-benzimidazol-2-yl]-, methyl est

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Albendazole sulfone is a metabolite of Albendazole, and exhibits anti-parasite effect against Echinococcus multilocularis Metacestodes.

Specifications

Synonyms

Albendazole EP Impurity C | methyl N-(6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate | Albendazole-sulfone | Albendazole Impurity 3（Albendazole EP Impurity C） | ALBENDAZOLE SULFONE | Carbamic acid, N-[6-(propylsulfonyl)-1H-benzimidazol-2-yl]-, methyl est

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, 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%

Names and Identifiers

• Canonical Smiles: CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC
• IUPAC Name: methyl N-(6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate
• InChIKey: CLSJYOLYMZNKJB-UHFFFAOYSA-N
• INCHI: 1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
• Isomeric SMILES: CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC
• PubChem CID: 53174
• Molecular Weight: 297.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles
      • Subclass 2-benzimidazolylcarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: 2-benzimidazolylcarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-benzimidazolylcarbamic acid esters
• Alternative Parents: Benzenoids Sulfones Imidazoles Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-benzimidazolylcarbamic acid ester - Benzenoid - Azole - Imidazole - Sulfone - Sulfonyl - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.
• External Descriptors: organic sulfide

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