CAS 3091879-37-4 appears in our catalog under these names: Cyanine 3 DBCO (chloride), Cyanine 3 DBCO. Offered by: MedChemExpress, Sigma-Aldrich. Available pack sizes: Get quote, 5MG.
N-[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]-6-[3,3-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanamide chloride (CAS 3091879-37-4) is a chemical compound with the molecular formula C51H57ClN4O2 and a molecular weight of 793.5 g/mol. IUPAC name: N-[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]-6-[3,3-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanamide chloride. InChIKey: YJIIUNWLHUGXGS-UHFFFAOYSA-N.
| Molecular formula | C51H57ClN4O2 |
|---|---|
| Molecular weight | 793.5 g/mol |
| IUPAC name | N-[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]-6-[3,3-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]hexanamide chloride |
| InChIKey | YJIIUNWLHUGXGS-UHFFFAOYSA-N |
| SMILES | CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCCCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)(C)C)C)C.[Cl-] |
Computed by PubChem (NCBI)