Sulbutiamine
[(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate
Molecular Identity
Sulbutiamine
[(E)-4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-(2-methylpropanoyloxy)pent-2-en-3-yl]disulfanyl]pent-3-enyl] 2-methylpropanoate
PubChem CID: 3002120
Bisibuthiamine is an aminopyrimidine.
2D Structure
Properties
C32H46N8O6S2
Molecular Formula
702.90
Molecular Weight
g/mol
702.2982
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
247
TPSA
May have limited oral absorption
2
H-Bond Donors
14
H-Bond Acceptors
1050
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Sulbutiamine3286-46-2SulbutiaminaBisibuthiamineSulbutiaminumYouvitanThiamine disulfide O,O-diisobutyrate42NCM1BW43Propanoic acid, 2-methyl-, dithiobis(3-(1-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)ethylidene)-3,1-propanediyl) estersulbuthiaminesulbutiamin2-isobutyrylthiamine disulfidePropanoic acid, 2-methyl-, dithiobis[3-[1-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]ethylidene]-3,1-propanediyl] esterRefChem:186463A11DA02
Data from PubChem (NCBI)
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