CAS 1962114-98-2 is the registry number for Emtricitabine Tenofovir Disoproxil Dimer. Offered by: Chemat Brand. Available pack sizes: on request.
[[(2R)-1-[6-[[[5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]amino]methylamino]purin-9-yl]propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate (CAS 1962114-98-2) is a chemical compound with the molecular formula C28H40FN8O13PS and a molecular weight of 778.7 g/mol. IUPAC name: [[(2R)-1-[6-[[[5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]amino]methylamino]purin-9-yl]propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate. InChIKey: XBSZZLHHNLWHEU-HLAWJBBLSA-N.
| Molecular formula | C28H40FN8O13PS |
|---|---|
| Molecular weight | 778.7 g/mol |
| IUPAC name | [[(2R)-1-[6-[[[5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]amino]methylamino]purin-9-yl]propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate |
| InChIKey | XBSZZLHHNLWHEU-HLAWJBBLSA-N |
| SMILES | C[C@H](CN1C=NC2=C(N=CN=C21)NCNC3=NC(=O)N(C=C3F)[C@@H]4CS[C@@H](O4)CO)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C |
Computed by PubChem (NCBI)