Products 3012597-48-4
CAS 3012597-48-4 is the registry number for Cy3-NO2-Tre. Offered by: MedChemExpress. Available pack sizes: Get quote.
6-[2-[3-[3,3-dimethyl-1-[(4-nitrophenyl)methyl]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]hexanamide bromide (CAS 3012597-48-4) is a chemical compound with the molecular formula C48H61BrN4O13 and a molecular weight of 981.9 g/mol. IUPAC name: 6-[2-[3-[3,3-dimethyl-1-[(4-nitrophenyl)methyl]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]hexanamide bromide. InChIKey: WCJHPFGKEPUYBG-YHKDYSKUSA-N.
| Molecular formula | C48H61BrN4O13 |
|---|---|
| Molecular weight | 981.9 g/mol |
| IUPAC name | 6-[2-[3-[3,3-dimethyl-1-[(4-nitrophenyl)methyl]indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]-N-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl]hexanamide bromide |
| InChIKey | WCJHPFGKEPUYBG-YHKDYSKUSA-N |
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)(C)C)CC7=CC=C(C=C7)[N+](=O)[O-])C.[Br-] |
Computed by PubChem (NCBI)
Synonyms:
orb3027460