Products 2681264-65-1
CAS 2681264-65-1 is the registry number for Brexanolone caprilcerbate. Offered by: MedChemExpress. Available pack sizes: Get quote.
1-O-[[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxymethyl] 5-O-[1,3-di(octanoyloxy)propan-2-yl] 3-methylpentanedioate (CAS 2681264-65-1) is a chemical compound with the molecular formula C48H78O12 and a molecular weight of 847.1 g/mol. IUPAC name: 1-O-[[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxymethyl] 5-O-[1,3-di(octanoyloxy)propan-2-yl] 3-methylpentanedioate. InChIKey: UURJDSKJYJCKFM-MGZMNYTESA-N.
| Molecular formula | C48H78O12 |
|---|---|
| Molecular weight | 847.1 g/mol |
| IUPAC name | 1-O-[[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyloxymethyl] 5-O-[1,3-di(octanoyloxy)propan-2-yl] 3-methylpentanedioate |
| InChIKey | UURJDSKJYJCKFM-MGZMNYTESA-N |
| SMILES | CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CC(C)CC(=O)OCOC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)C)C)C |
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