Desmethylthiamine
Grundinformationen
- CAS
7771-57-5- Standard-SMILES
Cc1c(CCO)sc[n+]1Cc1cncnc1N- InChIKey
PWMQZXCKDPDSPD-UHFFFAOYSA-N- Summenformel
- C11H15N4OS+
- Durchschnittliche Molmasse
- 251,33 g/mol
- Monoisotopische Masse
- 251,09665729
Namen und Bezeichner
- Bevorzugter Name
- Desmethylthiamine
- IUPAC
- 2-[3-[(4-aminopyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
- Englischer Name
- Thiamine Impurity 2
- Summenformel
- C11H15N4OS+
- Molmasse
- 251.33
Namen und Synonyme
Desmethylthiamine2-Northiamin7771-57-5K78Y4WB9BSThiamine Impurity BUNII-K78Y4WB9BSThiamine nitrate impurity B [EP]Thiamine hydrochloride impurity B [EP]3-((4-Amino-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazoliumThiazolium, 3-((4-amino-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-3-((4-Aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium3-((4-Aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium
Weitere Namen anzeigen
Thiamine Impurity 2Thiamine Impurity 2 Monomer (Thiamine EP Impurity B Monomer)3-[(4-Aminopyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium (Demethylthiamine)
THIAMINE NITRATE IMPURITY B [EP IMPURITY]THIAMINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Datenbank-Bezeichner
- CAS
7771-57-5- PubChem CID
- 71751248
- UNII
- K78Y4WB9BS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 104 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 17
- Formalladung
- 1
- Komplexität
- 244
Physikochemische Eigenschaften
- InChI
- InChI=1S/C11H15N4OS/c1-8-10(2-3-16)17-7-15(8)5-9-4-13-6-14-11(9)12/h4,6-7,16H,2-3,5H2,1H3,(H2,12,13,14)/q+1
- InChIKey
- PWMQZXCKDPDSPD-UHFFFAOYSA-N
- SMILES
- C(C1=CN=CN=C1N)[N+]1=CSC(CCO)=C1C
Chemie und Industrie
Anwendungen
Verwenden2-Northiamin is an impurity of Thiamine (T344185), an essential nutrient required for carbohydrate metabolism; also involved in nerve function. Biosynthesized by microorganisms and plants. Dietary sources include whole grains, meat products, vegetables, milk, legumes and fruit. Also present in rice husks and yeast. Converted in vivo to Thiamine diphosphate, a coenzyme in the decarboxylation of α-keto acids. Chronic deficiency may lead to neurological impairment, bariberi, Wernicke-Korsakoff syndrome.
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