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CAS RN 22457-89-2

CH3NNOCH3OPHOOHOSOH2NN(Z)

CAS RN 22457-89-2

IUPAC Name: {[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid
Synonyms: benfotiamine 苯磷硫胺
Molecular Weight (g/mol): 466.45
Molecular Formula: C19H23N4O6PS
InChi Key: BTNNPSLJPBRMLZ-LGMDPLHJSA-N
SMILES: C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1
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1

S-Benzoylthiamine O-Monophosphate, MP Biomedicals™

CAS: 22457-89-2 Molecular Formula: C19H23N4O6PS Molecular Weight (g/mol): 466.45 MDL Number: MFCD00057343,MFCD00057343 InChI Key: BTNNPSLJPBRMLZ-LGMDPLHJSA-N Synonym: benfotiamine,berdi,s-benzoylthiamine o-monophosphate,spectrum5_001042,spectrum1503105,benzoylthiaminmonophosphat,4-n-4-amino-2-methylpyrimidin-5-yl methyl formamido-3-benzoylsulfanyl pent-3-en-1-yl oxyphosphonic acid,s-e-2-4-amino-2-methylpyrimidin-5-yl methyl-formylamino-5-phosphonooxypent-2-en-3-yl benzenecarbothioate PubChem CID: 5282168 IUPAC Name: {[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid SMILES: C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1

PubChem CID 5282168
CAS 22457-89-2
Molecular Weight (g/mol) 466.45
MDL Number MFCD00057343,MFCD00057343
SMILES C\C(N(CC1=CN=C(C)N=C1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)C1=CC=CC=C1
Synonym benfotiamine,berdi,s-benzoylthiamine o-monophosphate,spectrum5_001042,spectrum1503105,benzoylthiaminmonophosphat,4-n-4-amino-2-methylpyrimidin-5-yl methyl formamido-3-benzoylsulfanyl pent-3-en-1-yl oxyphosphonic acid,s-e-2-4-amino-2-methylpyrimidin-5-yl methyl-formylamino-5-phosphonooxypent-2-en-3-yl benzenecarbothioate
IUPAC Name {[(3Z)-4-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-3-[(Z)-benzoylsulfanyl]pent-3-en-1-yl]oxy}phosphonic acid
InChI Key BTNNPSLJPBRMLZ-LGMDPLHJSA-N
Molecular Formula C19H23N4O6PS
2

Benfotiamine, MedChemExpress

MedChemExpress Benfotiamine (S-Benzoylthiamine O-monophosphate) is an analog of vitamin B1 with higher absorption and bioavailability than vitamin B1, and is commonly used as a food supplement for diabetic complications. Benfotiamine exhibits direct antioxidative capacity and prevents induction of DNA damage.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 466.45
Color White
Physical Form Solid
Chemical Name or Material Benfotiamine
Grade Research
SMILES CC1=NC=C(CN(/C(C)=C(CCOP(O)(O)=O)/SC(C2=CC=CC=C2)=O)C=O)C(N)=N1
For Use With (Application) Neuroscience-Neurodegeneration
Percent Purity 99.26%
CAS 22457-89-2
Solubility Information DMSO : ≥ 50 mg/mL (107.19 mM) ∣H2O : 0.67 mg/mL (1.44 mM; Need ultrasonic)
Synonym S-Benzoylthiamine O-monophosphate
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C19H23N4O6PS
Formula Weight 466.45