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136-16-3 | Thiazolium,3-[(3,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-
CAS No: 136-16-3 Catalog No: AG00714W MDL No:MFCD00050656
Product Description
Catalog Number:
AG00714W
Chemical Name:
Thiazolium,3-[(3,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-
CAS Number:
136-16-3
Molecular Formula:
C12H16ClN3O2S
Molecular Weight:
301.7923
MDL Number:
MFCD00050656
IUPAC Name:
5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C12H15N3O2S/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17/h5,7,16H,3-4,6H2,1-2H3/p+1
InChI Key:
SRDGSXVLAVRBLU-UHFFFAOYSA-O
SMILES:
OCCc1sc[n+](c1C)Cc1cnc(nc1O)C.[Cl-]
EC Number:
209-483-4
UNII:
1MF36SYZ22
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.096g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.339g/mol
Monoisotopic Mass:
266.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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| Modification of thiamine pyrophosphate dependent enzyme activity by oxythiamine in Saccharomyces cerevisiae cells. | Canadian journal of microbiology 20051001 |
| Breakdown of 2-hydroxylated straight chain fatty acids via peroxisomal 2-hydroxyphytanoyl-CoA lyase: a revised pathway for the alpha-oxidation of straight chain fatty acids. | The Journal of biological chemistry 20050318 |
| C2-alpha-lactylthiamin diphosphate is an intermediate on the pathway of thiamin diphosphate-dependent pyruvate decarboxylation. Evidence on enzymes and models. | The Journal of biological chemistry 20041224 |
| Three thiamine analogues differently alter thiamine transport and metabolism in nervous tissue: an in vivo kinetic study using rats. | Metabolic brain disease 20031201 |
| Attempts to inhibit ruminal methanogenesis by blocking pyruvate oxidative decarboxylation. | Canadian journal of microbiology 20031001 |
| Evidence for a carrier-mediated mechanism for thiamine transport to human jejunal basolateral membrane vesicles. | Digestive diseases and sciences 20030101 |
| Effect of oxythiamin on growth rate, survival ability and pyruvate decarboxylase activity in Saccharomyces cerevisiae. | Journal of basic microbiology 20030101 |
| Cellular and molecular aspects of thiamin uptake by human liver cells: studies with cultured HepG2 cells. | Biochimica et biophysica acta 20021223 |
| Phenytoin ameliorates the memory deficit induced in the young chick by ethanol toxicity in association with thiamine deficiency. | Pharmacology, biochemistry, and behavior 20020101 |
| The effect of thiamine supplementation on tumour proliferation. A metabolic control analysis study. | European journal of biochemistry 20010801 |
| The use of thiamine and thiamine antagonists to investigate the etiology of early mortality syndrome in lake trout (Salvelinus namaycush). | Aquatic toxicology (Amsterdam, Netherlands) 20010501 |
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