Record Information
Version1.0
Creation date2015-10-09 22:28:44 UTC
Update date2017-01-19 02:36:13 UTC
FoodComEx IDPC000133
FoodDB RecordNot Available
Chemical Information
NameThiamine monochloride
DescriptionNutrient supplement. Thiamine monochloride is found in many foods, some of which are strawberry guava, wild leek, sweet basil, and chinese cinnamon.
CAS Number59-43-8
Structure
Thumb
Synonyms
SynonymSource
3-(4-amino-2-METHYL-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-iumChEBI
AneurinChEBI
Apate dropsHMDB
BeatineHMDB
BedomeHMDB
BegiolanHMDB
BenervaHMDB
BequinHMDB
BerinHMDB
BethiazineHMDB
BeuionHMDB
BevitexHMDB
BevitineHMDB
BithiaminHMDB
BiunoHMDB
BivatinHMDB
BivitaHMDB
Cernevit-12HMDB
ClotiaminaHMDB
THDHMDB
Thiacratdb_source
ThiadoxineHMDB
ThiamineChEBI
Thiamine hydrochloridebiospider
Thiamine monochloridedb_source
Thiamine(1+) ionChEBI
ThiaminiumChEBI
TrophiteHMDB
VIBHMDB
Vitamin B1 hydrochloridemanual
VitaneuronHMDB
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=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
InChI KeyMYVIATVLJGTBFV-UHFFFAOYSA-M
Isomeric SMILES[Cl-].CC1=C(CCO)SC=[N+]1CC1=C(N)N=C(C)N=C1
Average Molecular Weight300.808
Monoisotopic Molecular Weight300.081159583
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water Solubilityapprox.]
Melting PointMp 120-122 dec., 163-165° dec. (anhyd.)DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci R436