thiamine monochloride

Thiamine 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2- hydroxyethyl)-4-methylthiazolium chloride.

Molecular Formula: C₁₂H₁₇ClN₄OS

InChI: InChI=1/C12H17N4OS.ClH/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);1H/q+1;/p-1/fC12H17N4OS.Cl/h13H2;1h/qm;-1

InChIKey: InChIKey=MYVIATVLJGTBFV-RJLNRQKHCC
SMILES: [Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1

CAS number 59-43-8

Names:
    CHEBI:33283
    Thiamine chloride
    Thiamine monochloride
    thiamine
    thiamine chloride
    thiamine monochloride
    vitamin B1
    2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanol chloride
    3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride
    3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride
    59-43-8

Registries:
    PubChem CID 6042
    Beilstein =3581326
    CAS 59-43-8 (from NIST)
    ChEBI 33283
    Gmelin 318226
    PubChem ID 11533845