Products 863772-22-9

CAS 863772-22-9 appears in our catalog under these names: ATTO 488 NHS ester, 93.00%, ATTO 488 NHS ester, 93% (TEA salt). Offered by: MedChemExpress, Ambeed. Available pack sizes: 1 mg, 1mg, 5mg, 10mg.

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

3-amino-6-azaniumylidene-9-[2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-methylcarbamoyl]phenyl]-5-sulfoxanthene-4-sulfonate (CAS 863772-22-9) is a chemical compound with the molecular formula C29H26N4O12S2 and a molecular weight of 686.7 g/mol. IUPAC name: 3-amino-6-azaniumylidene-9-[2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-methylcarbamoyl]phenyl]-5-sulfoxanthene-4-sulfonate. InChIKey: QYLVUXZLEBHDMK-UHFFFAOYSA-N.

Identity
Molecular formulaC29H26N4O12S2
Molecular weight686.7 g/mol
IUPAC name3-amino-6-azaniumylidene-9-[2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-methylcarbamoyl]phenyl]-5-sulfoxanthene-4-sulfonate
InChIKeyQYLVUXZLEBHDMK-UHFFFAOYSA-N
SMILESCN(CCCC(=O)ON1C(=O)CCC1=O)C(=O)C2=CC=CC=C2C3=C4C=CC(=[NH2+])C(=C4OC5=C3C=CC(=C5S(=O)(=O)[O-])N)S(=O)(=O)O

Computed by PubChem (NCBI)