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CAS 299-88-7

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Dibenzoylthiamine

Description:
Dibenzoylthiamine, with the CAS number 299-88-7, is a thiamine derivative characterized by the presence of two benzoyl groups attached to the thiamine structure. This compound is typically a white to off-white crystalline solid, exhibiting moderate solubility in organic solvents such as ethanol and acetone, while being less soluble in water. Dibenzoylthiamine is known for its role in biochemical applications, particularly as a thiamine analog, which can influence enzymatic reactions involving thiamine-dependent enzymes. Its chemical structure allows it to interact with biological systems, potentially acting as a cofactor or inhibitor. The compound is stable under standard conditions but may be sensitive to light and moisture, necessitating proper storage conditions to maintain its integrity. In terms of safety, like many organic compounds, it should be handled with care, following appropriate safety protocols to avoid exposure. Overall, dibenzoylthiamine serves as an important compound in both research and potential therapeutic applications.
Formula:C26H26N4O4S
InChI:InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)
InChI key:InChIKey=AZJUFRDUYTYIHV-UHFFFAOYSA-N
SMILES:C(N(C(=C(SC(=O)C1=CC=CC=C1)CCOC(=O)C2=CC=CC=C2)C)C=O)C=3C(N)=NC(C)=NC3
Synonyms:
  • (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-[(phenylcarbonyl)sulfanyl]pent-3-en-1-yl benzoate
  • Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propen-1-yl] ester
  • Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]-1-propenyl] ester
  • Benzoic acid, thio-, S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide benzoate (ester)
  • Dibenthiamine
  • Dibenzoyl thiamine
  • Dibenzoylthiamine
  • O,S-Bis(benzoyl)thiamine disulfide
  • O,S-Dibenzoylthiamine
  • Thiamine, O,S-dibenzoyl-
  • Bentiamine
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