Account 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium chloride
- Catalog No. :
- ACOQGH907
- CAS No. :
- 15666-52-1
- Molecular Formula :
- C12H20ClN4O10P3S
- Molecular Weight :
- 540.75
IUPAC Name:3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium chloride
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Product Information
| Product Name | 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium chloride |
|---|---|
| IUPAC Name | 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy((hydroxy(phosphonooxy)phosphoryl)oxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium chloride |
| Molecular Formula | C12H20ClN4O10P3S |
| Molecular Weight | 540.75 |
| SMILES | CC1=NC=C(C[N+]2=CSC(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)=C2C)C(N)=N1.[Cl-] |
| InChI Key | QQGUUJDJIKOGLR-UHFFFAOYSA-N |
| Synonym | [[2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1-thia-3-azoniacyclopenta-2,4-dien-5-yl]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid;Thiamin triphosphate;CPD-611;Thiamine Impurity 49;Thiamine Impurity 35 |
| CAS No. | 15666-52-1 |
Synthetic Route by SureRoute
2. ACOQGH907 Molecular Building Block Synthetic Route
2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl trihydrogen triphosphate
3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-((hydroxy(phosphonooxy)phosphoryl)oxy)ethyl)-4-methylthiazol-3-ium chloride
2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl dihydrogen diphosphate