Thiamine Phosphate Ester Dihydrogen Phosphate Salt
[CAS 635-97-2]

Identification

• Name: Thiamine Phosphate Ester Dihydrogen Phosphate Salt
• Synonyms: 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethyl Dihydrogen Phosphate; Dihydrogen Phosphate; 2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethyl Dihydrogen Phosphate; Dihydrogen Phosphate; 2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethyl Dihydrogen Phosphate; Dihydrogen Phosphate
• Molecular Formula: C₁₂H₂₀N₄O₈P₂S
• Molecular Weight: 442.32
• CAS Registry Number: 635-97-2
• EINECS: 211-246-5
• SMILES: C1=[N+](C(=C(CCO[P](O)(O)=O)S1)C)CC2=CN=C(N=C2N)C.O=[P](O)(O)[O-]
• InChI: 1S/C12H17N4O4PS.H3O4P/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;1-5(2,3)4/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);(H3,1,2,3,4)
• InChIKey: CUWOKLAYADTBBR-UHFFFAOYSA-N