Products 112825-05-5
CAS 112825-05-5 appears in our catalog under these names: Methyllycaconitine Citrate, Melycaconitine citrate - Bio-X â„¢, Melycaconitine citrate, MEthyllycaconitine citrate, ≥98%, ≥98%, Melycaconitine citrate, min. 95 %, BioScience Grade, 10 mg. Offered by: TRC, Biosynth, Chemat, Roth, GLPBio. Available pack sizes: 250mg, 10mg, 50mg, 25mg, 100mg, 5mg, 10mM (in 1ml dmso).
[(2R,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate;2-hydroxypropane-1,2,3-tricarboxylic acid (CAS 112825-05-5) is a chemical compound with the molecular formula C43H58N2O17 and a molecular weight of 874.9 g/mol. IUPAC name: [(2R,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate;2-hydroxypropane-1,2,3-tricarboxylic acid. InChIKey: INBLZNJHDLEWPS-FOROPSOMSA-N.
| Molecular formula | C43H58N2O17 |
|---|---|
| Molecular weight | 874.9 g/mol |
| IUPAC name | [(2R,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChIKey | INBLZNJHDLEWPS-FOROPSOMSA-N |
| SMILES | CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Computed by PubChem (NCBI)