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thiamine(1+) chloride

Properties

Image

Occurences in reactions

MNX_ID

MNXM730136

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

formula

C₁₂H₁₇ClN₄OS

charge

mass

300.08116

reference

InChIKey

MYVIATVLJGTBFV-UHFFFAOYSA-M

InChI

InChI=1S/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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:33283 chebi:33283	thiamine(1+) chloride 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride Thiamin thiamine thiamine chloride thiamine monochloride thiaminum tiamina vitamin B1
kegg.drug:D08580 keggD:D08580	Thiamine (INN) Vitamin B1 (TN)
sabiork.compound:2032 sabiorkM:2032	Thiamin Aneurin Antiberiberi factor Thiamine Vitamin B1
keggD:M_D08580	secondary/obsolete/fantasy identifier