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thiamine hydrochloride

PropertiesImage
MNX_IDMNXM161568 Image of MNXM161568
referencechebi:49105
formulaC12H18Cl2N4OS
global charge0
mol weight337.276
InChIKeyDPJRMOMPQZCRJU-UHFFFAOYSA-M
InChIInChI=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
SMILESCC1=NC(N)=C(C[N+]2=CSC(CCO)=C2C)C=N1.Cl.[Cl-]
MNX internals
InChI (mnx)InChI=1/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;; Image of MNXM161568
SMILES (mnx)[CH3:1][C:8]1=[C:11]([CH2:3][CH2:4][OH:17])[S:18][CH:7]=[N+:16]1[CH2:6][C:10]1=[CH:5][N:14]=[C:9]([CH3:2])[NH:15][C:12]1=[NH:13].[ClH:19].[ClH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:49105
chebi:49105
DPJRMOMPQZCRJU-UHFFFAOYSA-M 		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
DPJRMOMPQZCRJU-UHFFFAOYSA-M 		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