Products 1813561-85-1
CAS 1813561-85-1 appears in our catalog under these names: DBCO-Cy3, 98%, 2-[3-[1-[6-[[3-(11,12-Didehydrodibenz[b,f]azocin-5(6H)-yl)-3-oxopropyl]amino]-6-oxohexyl]-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1-propen-1-yl]-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-3H-indolium inner salt, 98%. Offered by: Ambeed, BLDpharm. Available pack sizes: 100mg, 1mg, 5mg, 10mg, 25mg, 50mg.
1-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-2-[(E,3E)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonate (CAS 1813561-85-1) is a chemical compound with the molecular formula C50H54N4O11S3 and a molecular weight of 983.2 g/mol. IUPAC name: 1-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-2-[(E,3E)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonate. InChIKey: ALLGTQOHAQKUOH-UHFFFAOYSA-N.
| Molecular formula | C50H54N4O11S3 |
|---|---|
| Molecular weight | 983.2 g/mol |
| IUPAC name | 1-[6-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-2-[(E,3E)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonate |
| InChIKey | ALLGTQOHAQKUOH-UHFFFAOYSA-N |
| SMILES | CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/3\C(C4=C(N3CCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)C)CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C |
Computed by PubChem (NCBI)