CAS 22457-89-2 Benfotiamine CAS NO.22457-89-2

22457-89-2 - Names and Identifiers
Name    S-benzoylthiamine O-monophosphate
Synonyms    berdi
betivina
Benfotiamine
benphothiamine
benzoylthiamineo-monophosphate
S-benzoylthiamine O-monophosphate
BENFOTAMINE (S-BENZOYLTHIAMINE-O-MONOPHOSPHATE)
S-[2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-5-(phosphonooxy)pent-2-en-3-yl] benzenecarbothioate
Thiobenzoic acid S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propenyl]
Thiobenzoic acid S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propenyl] ester
S-{(1Z)-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1-[2-(phosphonooxy)ethyl]prop-1-en-1-yl} benzenecarbothioate
S-{(1E)-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-1-[2-(phosphonooxy)ethyl]prop-1-en-1-yl} benzenecarbothioate
S-[2]-[(4-Amino-2-methyl-5-pyrimidinyl)methy-[formylamino]-1-[2-phosphonoxy)ethyl]-1-propenyloic ester phenylcarbathionoic acid
n-((4-amino-2-methyl-5-pyrimidinyl)methyl)-n-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide-s-benzoate dihydrogen phosphate
CAS    22457-89-2
EINECS    245-013-4
InChI    InChI=1/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)/b17-13+
InChIKey    BTNNPSLJPBRMLZ-GHRIWEEISA-N

22457-89-2 - Physico-chemical Properties
Molecular Formula    C19H23N4O6PS
Molar Mass    466.45
Density    1.444±0.06 g/cm3(Predicted)
Melting Point    165 C
Boling Point    745.1±70.0 °C(Predicted)
Flash Point    404.4°C
Solubility    Aqueous Acid (Slightly), DMSO (Heated, Sonicated)
Vapor Presure    2.55E-23mmHg at 25°C
Appearance    Flash black powder
Color    White to Off-White
Merck    14,1041
pKa    1.84±0.10(Predicted)
Storage Condition    2-8°C
Refractive Index    1.645
MDL    MFCD00057343
Physical and Chemical Properties    White crystalline powder, solution in water.
Use    This product is for scientific research only and shall not be used for other purposes.