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thiamine(1+) chloride

PropertiesImage
MNX_IDMNXM730136 Image of MNXM730136
referencechebi:33283
formulaC12H17ClN4OS
global charge0
mol weight300.815
InChIKeyMYVIATVLJGTBFV-UHFFFAOYSA-M
InChIInChI=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
SMILESCC1=NC(N)=C(C[N+]2=CSC(CCO)=C2C)C=N1.[Cl-]
MNX internals
InChI (mnx)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; Image of MNXM730136
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]
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:33283
chebi:33283
MYVIATVLJGTBFV-UHFFFAOYSA-M 		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
MYVIATVLJGTBFV-UHFFFAOYSA-M 		Thiamine (INN)
Vitamin B1 (TN)

sabiork.compound:2032
sabiorkM:2032
MYVIATVLJGTBFV-UHFFFAOYSA-M 		Thiamin
Aneurin
Antiberiberi factor
Thiamine
Vitamin B1

keggD:M_D08580 		secondary/obsolete/fantasy identifier