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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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Benfotiamine, TRC

CAS: 22457-89-2 Chemical Name or Material: Benfotiamine Formula Weight: 466.1076 InChI Formula: 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)/b17-13+ IUPAC Name: S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate Molecular Formula: C19 H23 N4 O6 P S Molecular Weight (g/mol): 466.45 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C SMILES: C\C(=C(\CCOP(=O)(O)O)/SC(=O)c1ccccc1)\N(Cc2cnc(C)nc2N)C=O Synonym: Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] ester,Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propenyl] ester (9CI),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) (8CI),Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)-, S-benzoate O-(dihydrogen phosphate) (8CI),8088CB,BTMP,Benfothiamine,Benfotiamine,Benzoylthiamine O-monophosphate,Benzoylthiamine monophosphate,Berdi,Betivina,Bietamine,Biotamin,Milgamma,N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate,Neurostop,Nitanevril,S-Benzoylthiamine O-monophosphate,S-Benzoylthiamine monophosphate,Tabiomyl,Vitanevril,(E)-6-(4-Amino-2-methylpyrimidin-5-yl)-3-benzoylthio-5-formyl-4-methyl-5-azahex-3-enyldihydrogenphosphat (ABDA Nomenklatur)

Percent Purity >95%
CAS 22457-89-2
Molecular Weight (g/mol) 466.45
InChI Formula 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)/b17-13+
Chemical Name or Material Benfotiamine
Synonym Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] ester,Benzenecarbothioic acid, S-[2-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propenyl] ester (9CI),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) (8CI),Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)-, S-benzoate O-(dihydrogen phosphate) (8CI),8088CB,BTMP,Benfothiamine,Benfotiamine,Benzoylthiamine O-monophosphate,Benzoylthiamine monophosphate,Berdi,Betivina,Bietamine,Biotamin,Milgamma,N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide S-benzoate O-phosphate,Neurostop,Nitanevril,S-Benzoylthiamine O-monophosphate,S-Benzoylthiamine monophosphate,Tabiomyl,Vitanevril,(E)-6-(4-Amino-2-methylpyrimidin-5-yl)-3-benzoylthio-5-formyl-4-methyl-5-azahex-3-enyldihydrogenphosphat (ABDA Nomenklatur)
SMILES C\C(=C(\CCOP(=O)(O)O)/SC(=O)c1ccccc1)\N(Cc2cnc(C)nc2N)C=O
Recommended Storage +4°C
Purity Grade Notes HPLC
Molecular Formula C19 H23 N4 O6 P S
IUPAC Name S-[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate
Formula Weight 466.1076
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