Account 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-ium chloride
- Catalog No. :
- ACVBDG734
- CAS No. :
- 532-40-1
- Molecular Formula :
- C12H18ClN4O4PS
- Molecular Weight :
- 380.79
IUPAC Name:3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-ium chloride
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Product Information
| Product Name | 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-ium chloride |
|---|---|
| IUPAC Name | 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-ium chloride |
| Molecular Formula | C12H18ClN4O4PS |
| Molecular Weight | 380.79 |
| SMILES | CC1=NC=C(C[N+]2=CSC(CCOP(=O)(O)O)=C2C)C(N)=N1.[Cl-] |
| InChI Key | GUGWNSHJDUEHNJ-UHFFFAOYSA-N |
| Synonym | Q7783877 | Superneurina | Fosbione | Phosbitamin | Tox21_112138 | MONOPHOSPHOTHIAMINE [WHO-DD] | Neurifosforil | thiamine(1+) monophosphate chloride | Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)-, chloride | M |
| CAS No. | 532-40-1 |
| PubChem CID | 10761 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H317
- Precautionary Statement(s)
- P261-P272-P280-P302+P352-P333+P313-P363-P501
Synthetic Route by SureRoute
2. ACVBDG734 Molecular Building Block Synthetic Route
3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-ium chloride dihydrate
3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-ium dihydrogen phosphate
2-(3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methylthiazol-3-ium-5-yl)ethyl hydrogen phosphate