oxythiamine disulfide nicotinate

Modify Date: 2025-11-26 12:34:35

oxythiamine disulfide nicotinate Structure
oxythiamine disulfide nicotinate structure
Common Name oxythiamine disulfide nicotinate
CAS Number 144722-72-5 Molecular Weight 774.86600
Density 1.36g/cm3 Boiling Point N/A
Molecular Formula C36H38N8O8S2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name [(Z)-4-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-3-[[(E)-2-[formyl-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]amino]-5-(pyridine-3-carbonyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] pyridine-3-carboxylate

 Chemical & Physical Properties

Density 1.36g/cm3
Molecular Formula C36H38N8O8S2
Molecular Weight 774.86600
Exact Mass 774.22500
PSA 261.62000
LogP 6.31200
Index of Refraction 1.65
InChIKey DQCFFVJSPGNCNI-FNKNYVMZSA-N
SMILES CC(=C(CCOC(=O)c1cccnc1)SSC(CCOC(=O)c1cccnc1)=C(C)N(C=O)Cc1cnc(C)[nH]c1=O)N(C=O)Cc1cnc(C)[nH]c1=O
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