Products 1799421-49-0
CAS 1799421-49-0 is the registry number for DMEA-PNU-159682 (dichloroacetate). Offered by: MedChemExpress. Available pack sizes: Get quote.
Bis(2,2-dichloroacetic acid);[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-methyl-N-[2-(methylamino)ethyl]carbamate (CAS 1799421-49-0) is a chemical compound with the molecular formula C41H49Cl4N3O18 and a molecular weight of 1013.6 g/mol. IUPAC name: bis(2,2-dichloroacetic acid);[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-methyl-N-[2-(methylamino)ethyl]carbamate. InChIKey: QKHFWHVFMDBPQW-YWAILISVSA-N.
| Molecular formula | C41H49Cl4N3O18 |
|---|---|
| Molecular weight | 1013.6 g/mol |
| IUPAC name | bis(2,2-dichloroacetic acid);[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] N-methyl-N-[2-(methylamino)ethyl]carbamate |
| InChIKey | QKHFWHVFMDBPQW-YWAILISVSA-N |
| SMILES | C[C@H]1[C@@H]2[C@H](C[C@@H](O1)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)COC(=O)N(C)CCNC)O)N7CCO[C@@H]([C@H]7O2)OC.C(C(=O)O)(Cl)Cl.C(C(=O)O)(Cl)Cl |
Computed by PubChem (NCBI)
Synonyms:
DMEA-PNU-159682 (dichloroacetate), orb2564973