Thiamine Bromide
[CAS# 7019-71-8]

Identification

• Name: Thiamine Bromide
• Synonyms: 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethanol Bromide; 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethanol Bromide; 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethanol Bromide
• Molecular Formula: C₁₂H₁₇BrN₄OS
• Molecular Weight: 345.26
• CAS Registry Number: 7019-71-8
• SMILES: C1=[N+](C(=C(S1)CCO)C)CC2=CN=C(N=C2N)C.[Br-]
• InChI: 1S/C12H17N4OS.BrH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1
• InChIKey: URCYCZPVXXIFSR-UHFFFAOYSA-M