Thiamine phosphate ester dihydrogen phosphate salt
Molecular Formula:
C12H20N4O8P2S
InChI: InChI=1/C12H17N4O4PS.H3O4P/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13;1-5(2,3)4/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19);(H3,1,2,3,4)/fC12H18N4O4PS.H2O4P/h17-18H,13H2;1-2H/q+1;-1
InChIKey: InChIKey=CUWOKLAYADTBBR-LHOSQIMICV
SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O.OP(=O)(O)[O-]
Names:
EINECS 211-246-5
Thiamine phosphate ester dihydrogen phosphate salt
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxyphosphonic acid; dihydroxy-oxido-oxo-phosphorane
635-97-2
Registries:
PubChem CID 3033991
PubChem ID 211635
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