2-(1-Hydroxyethyl)Thiamine Pyrophosphate
[CAS# 20319-27-1]

Identification

• Name: 2-(1-Hydroxyethyl)Thiamine Pyrophosphate
• Synonyms: 2-[2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethoxy]Ethyl Phosphono Hydrogen Phosphate Chloride; 2-[2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethoxy]Ethyl Phosphono Hydrogen Phosphate Chloride; 2-[2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethoxy]Ethyl Phosphono Hydrogen Phosphate Chloride
• Molecular Formula: C₁₄H₂₃ClN₄O₈P₂S
• Molecular Weight: 504.82
• CAS Registry Number: 20319-27-1
• SMILES: C1=[N+](C(=C(S1)CCOCCO[P](O[P](O)(O)=O)(O)=O)C)CC2=CN=C(N=C2N)C.[Cl-]
• InChI: 1S/C14H22N4O8P2S.ClH/c1-10-13(3-4-24-5-6-25-28(22,23)26-27(19,20)21)29-9-18(10)8-12-7-16-11(2)17-14(12)15;/h7,9H,3-6,8H2,1-2H3,(H4-,15,16,17,19,20,21,22,23);1H
• InChIKey: GFOZNKHLFXWLSX-UHFFFAOYSA-N