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CAS 68684-55-9

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Cocarboxylase tetrahydrate

Description:
Cocarboxylase tetrahydrate, also known as thiamine pyrophosphate or thiamine diphosphate, is a coenzyme derived from vitamin B1 (thiamine) and plays a crucial role in carbohydrate metabolism. It is essential for the decarboxylation of alpha-keto acids and is involved in the synthesis of neurotransmitters. The tetrahydrate form indicates that the compound contains four molecules of water, which can influence its solubility and stability. Cocarboxylase is typically a white to off-white crystalline powder, soluble in water, and exhibits a neutral to slightly acidic pH in solution. Its molecular structure includes a thiazole ring and a pyrimidine ring, which are key to its biological activity. The compound is sensitive to heat and light, which can lead to degradation, thus requiring careful handling and storage conditions. Cocarboxylase is widely used in clinical settings, particularly in the treatment of conditions related to thiamine deficiency, such as Wernicke's encephalopathy and beriberi.
Formula:C12H27ClN4O11P2S
InChI:InChI=1/C12H18N4O7P2S.ClH.4H2O/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);1H;4*1H2
SMILES:Cc1c(CCOP(=O)([O-])OP(=O)(O)O)sc[n+]1Cc1cnc(C)[nH]c1=N.Cl.O.O.O.O
Synonyms:
  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)thiazolium P,P'-dioxide tetrahydrate
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