API0231982
Thiamine Hydrochloride
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CAS No.
67-03-8
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Synonyms
THIAMINE HYDROCHLORIDE; Clotiamina; Eskaphen
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CHEMBL ID
CHEMBL1200941
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Molecule Type
Small molecule
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Compound CID
6202
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Molecular Weight (g/mol)
337.3
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Molecular Formula
C12H18Cl2N4OS
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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
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InChIKey
DPJRMOMPQZCRJU-UHFFFAOYSA-M
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SMILES
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
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IUPAC Name
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
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Exact Mass (Da)
336.0578378
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Monoisotopic Mass (Da)
336.0578378
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