CAS 1782108-31-9 is the registry number for Renadirsen. Offered by: MedChemExpress. Available pack sizes: Get quote.
1-[(1R,5R,7R,8S)-8-[[(2R,3R,4R,5R)-3-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-3-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy(2-hydroxyethoxy)phosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-5-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione (CAS 1782108-31-9) is a chemical compound with the molecular formula C208H275N63O110P18S18 and a molecular weight of 6553 g/mol. IUPAC name: 1-[(1R,5R,7R,8S)-8-[[(2R,3R,4R,5R)-3-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-3-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy(2-hydroxyethoxy)phosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-5-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione. InChIKey: DYDGGTWPZKPVKH-XYDAUQFKSA-N.
| Molecular formula | C208H275N63O110P18S18 |
|---|---|
| Molecular weight | 6553 g/mol |
| IUPAC name | 1-[(1R,5R,7R,8S)-8-[[(2R,3R,4R,5R)-3-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(2R,3R,4R,5R)-3-[[(2R,3R,4R,5R)-3-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-8-[hydroxy(2-hydroxyethoxy)phosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-2,6-dioxabicyclo[3.2.1]octan-5-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(2R,3R,4R,5R)-2-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-5-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-[[[(2R,3R,4R,5R)-2-[[[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-7-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-2,6-dioxabicyclo[3.2.1]octan-7-yl]-5-methylpyrimidine-2,4-dione |
| InChIKey | DYDGGTWPZKPVKH-XYDAUQFKSA-N |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CCO3)COP(=S)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4OC)N5C=NC6=C(N=CN=C65)N)COP(=S)(O)O[C@@H]7[C@H](O[C@H]([C@@H]7OC)N8C=NC9=C(N=CN=C98)N)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1(CCO2)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1(CCO2)COP(=S)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N1C=CC(=NC1=O)N)COP(=S)(O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1(CCO2)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1(CCO2)COP(=O)(O[C@@H]1[C@H](O[C@H]([C@@H]1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=S)(O)O[C@H]1[C@@H]2[C@@H](O[C@]1(CCO2)CO)N1C=C(C(=NC1=O)N)C)S)N1C=C(C(=NC1=O)N)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=NC1=O)N)C)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=S)(O)OC[C@]12CCO[C@H]([C@@H]1OP(=S)(O)OC[C@]13CCO[C@H]([C@@H]1OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC4=C(N=CN=C41)N)OC)OP(=S)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)NC1=O)OC)OP(=S)(O)OC[C@]14CCO[C@H]([C@@H]1OP(=S)(O)OC[C@]15CCO[C@H]([C@@H]1OP(=S)(O)OCCO)[C@@H](O5)N1C=C(C(=NC1=O)N)C)[C@@H](O4)N1C=C(C(=NC1=O)N)C)[C@@H](O3)N1C=C(C(=NC1=O)N)C)[C@@H](O2)N1C=C(C(=NC1=O)N)C |
Computed by PubChem (NCBI)