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775256-41-2

775256-41-2 Structure

775256-41-2 Structure
IdentificationBack Directory
[Name]

Benzenecarbothioic acid, S-[(1Z)-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] ester
[CAS]

775256-41-2
[Synonyms]

Thiamine Impurity 13
Benzenecarbothioic acid, S-[(1Z)-2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] ester
[Molecular Formula]

C19H23N4O6PS
[MOL File]

775256-41-2.mol
[Molecular Weight]

466.45
Chemical PropertiesBack Directory
[Boiling point ]

745.1±70.0 °C(Predicted)
[density ]

1.444±0.06 g/cm3(Predicted)
[pka]

1.88±0.10(Predicted)
Hazard InformationBack Directory
[Definition]

ChEBI: Benfotiamine is a thioester that is a synthetic analogue of thiamine obtained by acylative cleavage of the thiazole ring and O-phospohorylation. It has a role as an immunological adjuvant, a nutraceutical, an antioxidant, a provitamin B1 and a protective agent. It is an aminopyrimidine, a member of formamides, an organic phosphate and a thioester. It is functionally related to a thiamine(1+).
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