Account 1-((2R,3R)-3-(4-(4-Cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-((methyl(3-(((methylglycyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium hydrogen sulfate
- Catalog No. :
- ACGRPF083
- CAS No. :
- 946075-13-4
- Molecular Formula :
- C35H36F2N8O9S2
- Molecular Weight :
- 814.85
IUPAC Name:1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-((methyl(3-(((methylglycyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium hydrogen sulfate
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5g98%$2049.00Login to see priceIn stockInquiry
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Product Information
| Product Name | 1-((2R,3R)-3-(4-(4-Cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-((methyl(3-(((methylglycyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium hydrogen sulfate |
|---|---|
| IUPAC Name | 1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-((methyl(3-(((methylglycyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium hydrogen sulfate |
| MDL No. | MFCD27987905 |
| Molecular Formula | C35H36F2N8O9S2 |
| Molecular Weight | 814.85 |
| SMILES | CC([N+]1=CN(C[C@](O)(C2=CC(F)=CC=C2F)[C@H](C3=NC(C4=CC=C(C#N)C=C4)=CS3)C)N=C1)OC(N(C)C5=NC=CC=C5COC(CNC)=O)=O.[O-]S(=O)(O)=O |
| InChI Key | LWXUIUUOMSMZKJ-KLFWAVJMSA-M |
| Synonym | Isavuconazonium (sulfate) | 1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-((methyl(3-(((methylglycyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium hydrogen sulfate | Glycine, N-methyl-, (2-( |
| CAS No. | 946075-13-4 |
| PubChem CID | 72196309 |
Safety Data
- Pictogram
- PICTOGRAM
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACGRPF083 Molecular Building Block Synthetic Route
1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-((methyl(3-(((methylglycyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium chloride hydrochloride
1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-((methyl(3-(((methylglycyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium
4-(1-(((3-(((N-(tert-butoxycarbonyl)-N-methylglycyl)oxy)methyl)pyridin-2-yl)(methyl)carbamoyl)oxy)ethyl)-1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-1H-1,2,4-triazol-4-ium iodide