Account 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 chloride
- Catalog No. :
- ACLCUU445
- CAS No. :
- 338990-63-9
- Molecular Formula :
- C40H43ClF2N8O7S
- Molecular Weight :
- 853.35
IUPAC Name: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 chloride
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Product Information
| Product Name | 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 chloride |
|---|---|
| IUPAC Name | 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 chloride |
| Molecular Formula | C40H43ClF2N8O7S |
| Molecular Weight | 853.35 |
| SMILES | [C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(COC(CN(C(OC(C)(C)C)=O)C)=O)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5.[Cl-] |
| InChI Key | MQJPVALDLKBJKP-CYDMSEOTSA-M |
| Synonym | Isavuconazonium base;IsavucozoleImpurity45;Isavuconazole Impurity(Chloride salts);Isavuconazole Impurity;Isavuconazole Impurity 16(Chloride salts);Isavuconazole Impurity N14 |
| CAS No. | 338990-63-9 |
Synthetic Route by SureRoute
2. ACLCUU445 Molecular Building Block Synthetic Route
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
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