Hydroxyethylthiamine
[CAS# 51230-37-6]

Identification

• Name: Hydroxyethylthiamine
• Synonyms: 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-5-(2-Hydroxyethyl)-4-Methyl-Thiazol-3-Ium-2-Yl]Ethanol Chloride; 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-5-(2-Hydroxyethyl)-4-Methyl-2-Thiazol-3-Iumyl]Ethanol Chloride; 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-5-(2-Hydroxyethyl)-4-Methyl-1,3-Thiazol-3-Ium-2-Yl]Ethanol Chloride
• Molecular Formula: C₁₄H₂₁ClN₄O₂S
• Molecular Weight: 344.86
• CAS Registry Number: 51230-37-6
• SMILES: C2=C(C[N+]1=C(SC(=C1C)CCO)CCO)C(=NC(=N2)C)N.[Cl-]
• InChI: 1S/C14H21N4O2S.ClH/c1-9-12(3-5-19)21-13(4-6-20)18(9)8-11-7-16-10(2)17-14(11)15;/h7,19-20H,3-6,8H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1
• InChIKey: BECBAQIAXDDXIE-UHFFFAOYSA-M