Benfotiamine-d5
Product Code
TRC-B136002-5MG
CAS Number
Product Format
Neat
Molecular Formula
C19 D5 H18 N4 O6 P S
Molecular Weight
471.479
Product Categories
Product Type
Stable Isotope LabelledPrice and availability
Product Information
Product Data
Analyte Name
Benfotiamine-d5
CAS Number
1331669-97-6
Molecular Formula
C19 D5 H18 N4 O6 P S
Molecular Weight
471.479
Accurate Mass
471.139
SMILES
[2H]c1c([2H])c([2H])c(C(=O)S\C(=C(\C)/N(Cc2cnc(C)nc2N)C=O)\CCOP(=O)(O)O)c([2H])c1[2H]
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)/b17-13-/i3D,4D,5D,6D,7D
IUPAC
S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] 2,3,4,5,6-pentadeuteriobenzenecarbothioate
SIL Type
Deuterium
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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