| SpectraBase Spectrum ID |
8jN6Imk2y1e |
| Name |
3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride hydrochloride |
| CAS Registry Number |
67-03-8 |
| Classification |
Thiamines |
| Comments |
Generally Recognized as Safe; NTIS Accession Number: PB288674 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
336.057837789 u |
| Formula |
C12H18Cl2N4OS |
| InChI |
InChI=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 |
| InChIKey |
DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| Number of Peaks |
34 |
| SMILES |
Cl.OCCc1c([n+](Cc2cnc(nc2N)C)cs1)C.[Cl-] |
| SPLASH |
splash10-03di-4930000000-d480c0400c059394354a |
| Source of Spectrum |
B4-0-0-0 |
| Synonyms |
Thiamine chloride hydrochloride
Vitamin B hydrochloride
2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl}ethan- 1-ol, chloride, chloride
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
| Wiley ID |
1332008 |
