Fursultiamine hydrochloride

Base Information

• Chemical Name: Fursultiamine hydrochloride
• CAS No.: 2105-43-3
• Deprecated CAS: 10238-39-8
• Molecular Formula: C17H27ClN4O3S2
• Molecular Weight: 435
• European Community (EC) Number: 218-278-9
• UNII: T3557LWB27
• Wikidata: Q27155576
• ChEMBL ID: CHEMBL1705673
• Mol file: 2105-43-3.mol

Synonyms:fursultiamine hydrochloride;Fursultimine hydrochloride;2105-43-3;TTFD hydrochloride;CHEBI:81714;T3557LWB27;Thiamine tetrahydrofurfuryl disulfide HCl;Thiamine tetrahydrofurfuryl disulfide hydrochloride;DTXSID8048602;Alinaxin;C17-H26-N4-O3-S2.Cl-H;Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-((tetrahydrofurfuryl)dithio)-1-butenyl)-, hydrochloride;STEARIDONICACID;NCGC00183101-01;CAS-2105-43-3;MLS002154097;SCHEMBL231841;SCHEMBL231842;UNII-T3557LWB27;CHEMBL1705673;DTXCID801011781;HMS1571I15;Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-butenyl]-, hydrochloride;EINECS 218-278-9;Tox21_112935;AKOS015961070;CCG-221007;FURSULTIAMINE HYDROCHLORIDE [JP];FURSULTIAMINE HYDROCHLORIDE [JAN];AC-12778;AC-32491;SMR001233405;FURSULTIAMINE HYDROCHLORIDE [WHO-DD];SR-01000841259;J-013804;SR-01000841259-2;Q27155576;N-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-N-((1E)-4-HYDROXY-1-METHYL-2-((TETRAHYDROFURAN-2-YLMETHYL)DISULFANYL)BUT-1-EN-1-YL)FORMAMIDE HYDROCHLORIDE;N-((4-Amino-2-methylpyrimidin-5-yl)methyl)-N-(4-hydroxy-1-methyl-2-((tetrahydrofurfuryl)dithio)but-1-en-1-yl)formamide monohydrochloride

Chemical Property of Fursultiamine hydrochloride

Chemical Property:

• Vapor Pressure: 6.64E-18mmHg at 25°C
• Melting Point: 160 °C (decomp)
• Boiling Point: 652.3 °C at 760 mmHg
• Flash Point: 348.3 °C
• PSA: 152.17000
• Density: 1.305g/cm3
• LogP: 4.51900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 434.1213108
• Heavy Atom Count: 27
• Complexity: 481

Purity/Quality:

99% ^*data from raw suppliers

FursultiamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C.Cl
• Isomeric SMILES: CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCO)/SSCC2CCCO2)/C.Cl
• Uses: Vitamin Fursultiamine was synthesized for the purpose of developing forms of thiamine with improved lipophilicity for treating vitamin B1 deficiency. In addition to its clinical indication of avitaminosis, fursultiamine has been studied in clinical trials for Alzheimer''s disease and autistic spectrum disorders with positive but modest benefits. It has also been investigated in improving energy metabolism during exercise and reducing exercise-induced fatigue with conflicting results.