Products 3091879-37-4

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.

Structural formula: {0} (CAS {1})

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.

Identity
Molecular formulaC51H57ClN4O2
Molecular weight793.5 g/mol
IUPAC nameN-[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
InChIKeyYJIIUNWLHUGXGS-UHFFFAOYSA-N
SMILESCC1(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)

Synonyms: orb3136638