Oxythiamin

Oxythiamine Thiamine antagonist, antimetabolite.

Molecular Formula: C₁₂H₁₆ClN₃O₂S

InChI: InChI=1/C12H15N3O2S.ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;/h5,7,16H,3-4,6H2,1-2H3;1H/fC12H16N3O2S.Cl/h14H;1h/q+1;-1

InChIKey: InChIKey=RNUAEUWXRHCGKX-RAGYCTAFCQ
SMILES: CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.[Cl-]

Names:
    BRN 4153910
    OXYTHIAMINE
    Oxythiamin
    Thiazolium, 3-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-
    Thiazolium, 5-(2-hydroxyethyl)-3-((4-hydroxy-2-methyl-5-pyrimidinyl)methyl)-4-methyl-
    136-16-3
    5-(2-Hydroxyethyl)-3-((4-hydroxy-2-methyl-5-pyrimidinyl)methyl)-4-methyl-thiazolium
    5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-yl]methyl]-2-methyl-3H-pyrimidin-4-one chloride

Registries:
    PubChem CID 8681
    PubChem ID 151838