Thiamine pyrophosphate
[CAS# 136-09-4]

Identification

• Name: Thiamine pyrophosphate
• Synonyms: [2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-Thiazol-3-Ium-5-Yl]Ethoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [2-[3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-5-Thiazol-3-Iumyl]Ethoxy-Hydroxyphosphoryl] Hydrogen Phosphate; [2-[3-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-4-Methyl-1,3-Thiazol-3-Ium-5-Yl]Ethoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₁₂H₁₈N₄O₇P₂S
• Molecular Weight: 424.30
• CAS Registry Number: 136-09-4
• EINECS: 205-230-7
• SMILES: C1=[N+](C(=C(S1)CCO[P](O[P]([O-])(=O)O)(=O)O)C)CC2=CN=C(N=C2N)C
• InChI: 1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)
• InChIKey: AYEKOFBPNLCAJY-UHFFFAOYSA-N