CAS 22457-89-2 Benfotiamine Benfotiamine
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.
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