2-Hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid

Base Information

• Chemical Name: 2-Hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid
• CAS No.: 101418-00-2
• Molecular Formula: (C8H9O4S)· (C8H8O4S)n ·(C7H7O4S)
• Molecular Weight: 218.22700
• Hs Code.: 2908999090
• European Community (EC) Number: 851-514-4
• DSSTox Substance ID: DTXSID70143913
• Wikipedia: Policresulen
• Wikidata: Q906883
• NCI Thesaurus Code: C166940
• ChEMBL ID: CHEMBL5188858
• Mol file: 101418-00-2.mol

Synonyms:Albocresil;Albothyl;formaldehyde - meta-cresolsulfonic acid;formaldehyde, meta-cresolsulfonic acid drug combination;Lotagen;Negatan;Negatol;Novugen;policresulen;Vagothyl

Chemical Property of 2-Hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid

Chemical Property:

• Appearance/Colour: Clear Red-Brown Solution
• Vapor Pressure: 2.1E-10mmHg at 25°C
• Boiling Point: 489.7°C at 760 mmHg
• Flash Point: 249.9°C
• PSA: 100.05000
• Density: 1.631 g/cm3
• LogP: 2.47910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 588.04298972
• Heavy Atom Count: 38
• Complexity: 1140

Purity/Quality:

50% ^*data from raw suppliers

Policresulen(TechnicalGrade,50%AqueousSolution) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1CC2=CC(=C(C(=C2C)CC3=CC(=C(C=C3C)O)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)O
• Description: Policresulen is a potent inhibitor of DENV2 NS2B/NS3 protease that inhibits DENV2 replication in BHK-21 cells. The binding mode of the protease and policresulen provides useful hints for designing new type of inhibitors against the protease.
• Uses: Policresulen is used for the treatment, control, prevention, & improvement of the following diseases, conditions and symptoms:Hemorrhoids,Gynecological infections,Inflammations of tissues,Policresulen may also be used for purposes not listed here. Policresulen is a potent novel NS2B/NS3 inhibitor and effectively inhibits the replication of DEV2 virus (dengue virus) in BHK-21 cells.
• Clinical Use: Policresulen is a topical hemostatic and antiseptic indicated for common anal disorders, such as hemorrhoids, and for gynecological infections. Policresulen has hemostatic activity by causing coagulation of blood proteins and promoting the contraction of the muscular fibers of the blood vessels of small caliber.