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 iodide
- Catalog No. :
- ACMTGZ083
- CAS No. :
- 338990-64-0
- Molecular Formula :
- C40H43F2IN8O7S
- Molecular Weight :
- 944.80
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 iodide
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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 iodide |
|---|---|
| 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 iodide |
| Molecular Formula | C40H43F2IN8O7S |
| Molecular Weight | 944.80 |
| SMILES | CC(OC(=O)N(C)C1=C(COC(=O)CN(C)C(=O)OC(C)(C)C)C=CC=N1)[N+]1=CN(C[C@](O)(C2=C(F)C=CC(F)=C2)[C@@H](C)C2=NC(C3=CC=C(C#N)C=C3)=CS2)N=C1.[I-] |
| InChI Key | SMJKATJGIBGWSI-CYDMSEOTSA-M |
| Synonym | Essaconazole impurity 11;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;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 |
| CAS No. | 338990-64-0 |
Synthetic Route by SureRoute
2. ACMTGZ083 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 chloride
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