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Thiamine Hydrochloride

Thiamine Hydrochloride

API0231982

Thiamine Hydrochloride

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  • CAS No.

    67-03-8

  • Synonyms

    THIAMINE HYDROCHLORIDE; Clotiamina; Eskaphen

  • CHEMBL ID

    CHEMBL1200941

  • Molecule Type

    Small molecule

  • Compound CID

    6202

  • Molecular Weight (g/mol)

    337.3

  • Molecular Formula

    C12H18Cl2N4OS

  • InChI

    InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1

  • InChIKey

    DPJRMOMPQZCRJU-UHFFFAOYSA-M

  • SMILES

    CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

  • IUPAC Name

    2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride

  • Exact Mass (Da)

    336.0578378

  • Monoisotopic Mass (Da)

    336.0578378

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