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5-Chloroethylthiamine hydrochloride

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For Research Use Only | Not For Clinical Use
CATAPS7275243A
CAS7275-24-3
Structure
SynonymsChlorothiamine Chloride Hydrochloride,Thiamine Hydrochloride Imp. C (EP), Thiamine Imp. C (EP), Thiamine Hydrochloride Imp. C (EP) as Chloride Hydrochloride, 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-chloroethyl)-4-methylthiazolium Chloride Hydrochloride
IUPAC Name5-[[5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methylpyrimidin-4-amine;chloride;hydrochloride
Molecular Weight355.71
Molecular FormulaC12H16ClN4S.Cl.ClH
Canonical SMILESCl.[Cl-].Cc1ncc(C[n+]2csc(CCCl)c2C)c(N)n1
InChIInChI=1S/C12H16ClN4S.2ClH/c1-8-11(3-4-13)18-7-17(8)6-10-5-15-9(2)16-12(10)14
Accurate Mass354.024
FormatNeat
SubcategoryPharmaceutical and veterinary compounds and metabolites
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