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thiamine hydrochloride

Properties

Image

Occurences in reactions

MNX_ID

MNXM161568

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₂H₁₈Cl₂N₄OS

charge

mass

336.05784

reference

InChIKey

DPJRMOMPQZCRJU-UHFFFAOYSA-M

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

SMILES

Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49105 chebi:49105	thiamine hydrochloride 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride 3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride thiamin dichloride thiamin hydrochloride thiamine HCl thiamine chloride hydrochloride thiamine dichloride thiamine(2+) dichloride thiaminium chloride hydrochloride vitamin B1 hydrochloride
kegg.drug:D02094 keggD:D02094	Thiamine hydrochloride (USP) Thiamine HCL (TN) Thiamine chloride hydrochloride (JP18)
seed.compound:cpd30680 seedM:cpd30680	Thiamine-HCl
keggD:M_D02094 seedM:M_cpd30680	secondary/obsolete/fantasy identifier