Molecular Weight: 466.45
Molecular Formula: C19H23N4O6PS
Canonical SMILES: CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)(O)O)SC(=O)C2=CC=CC=C2)C
InChI: InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)
InChIKey: BTNNPSLJPBRMLZ-UHFFFAOYSA-N
Boiling Point: 745.1±70.0°C at 760 mmHg
Melting Point: 165°C (dec.)
Purity: >98%
Solubility: Soluble in Aqueous Acid (Slightly), DMSO (Heated, Sonicated)
Application: Adjuvants, Immunologic
Storage: Store at 2-8°C under inert atmosphere
Synonyms: Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] ester; Benzoylthiamine monophosphate; Berdi; Betivina; Bietamine; Biotamin; Milgamma; Nitanevril; S-Benzoylthiamine O-monophosphate; Tabiomyl; Vitanevril; BTMP; Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)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 dihydrogen phosphate (ester); Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)-, S-benzoate O-(dihydrogen phosphate); 8088CB; Benfothiamine; Benzoylthiamine O-monophosphate; N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate; Neurostop; S-Benzoylthiamine monophosphate
DescriptionBenfotiamine is an amphiphilic S-acyl thiamine derivative used as a lipid soluble alternative source of bioavailable thiamine. Benfotiamine is being investigated in a variety of therapeutic applications.
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