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Benfotiamine-[d5]

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General Information
Catalog: BLP-013836
CAS: 1331669-97-6
Molecular Formula: C19H18D5N4O6PS
Molecular Weight: 471.48

Chemical Structure

Description	Benfotiamine-[d5] is the labelled analogue of Benfotiamine, which is a vitamin B1 analog and an amphiphilic S-acyl thiamine derivative used as a lipid soluble alternative source of bioavailable thiamine.
Synonyms	Benfotiamine-d5; (Benzene-d5)carbothioic Acid S-[2-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-1-[2-(phosphonooxy)ethyl]-1-propen-1-yl] Ester; Benzoylthiamine-d5 Monophosphate; Berdi-d5; Betivina-d5; Bietamine-d5; Biotamin-d5; Milgamma-d5; Nitanevril-d5; S-Benzoylthiamine-d5 O-Monophosphate; Tabiomyl-d5; Vitanevril-d5; BTMP-d5
IUPAC Name	S-[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] 2,3,4,5,6-pentadeuteriobenzenecarbothioate
Related CAS	22457-89-2 (unlabelled)
Canonical SMILES	CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOP(=O)(O)O)SC(=O)C2=CC=CC=C2)C
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
InChI Key	BTNNPSLJPBRMLZ-CSFUHONJSA-N
Purity	99% by HPLC
Solubility	Soluble in Aqueous Acid (Slightly), DMSO (Heated, Sonicated)
Appearance	Off-white Solid
Storage	Store at 2-8°C under inert atmosphere