Products 532-40-1

CAS 532-40-1 appears in our catalog under these names: Thiamine Phosphate Chloride, Vitamin B1 Monophosphate Chloride, >95% (HPLC), Thiamine monophosphate chloride, Vitamin B1 monophosphate chloride, 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-ium chloride, 98%,RG, 98%,RG. Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer, Biosynth, Chemat. Available pack sizes: on request, 1g, 2,5g, 5g, 100mg, 10g, 250mg, Get quote.

Structural formula: {0} (CAS {1})

Thiamine(1+) monophosphate(1-) is an ammonium betaine that is the conjugate base of thiamine(1+) monophosphate arising from the deprotonation of one of the phosphate hydroxy groups. It is a thiamine phosphate, a vitamin B1 and an ammonium betaine. It is a conjugate base of a thiamine(1+) monophosphate. It is a conjugate acid of a thiamine(1+) monophosphate(2-).

Source: ChEBI

Identity
Molecular formulaC12H17N4O4PS
Molecular weight344.33 g/mol
IUPAC name2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl hydrogen phosphate
InChIKeyHZSAJDVWZRBGIF-UHFFFAOYSA-N
SMILESCC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)[O-]

Computed by PubChem (NCBI)