Products 129787-64-0

CAS 129787-64-0 appears in our catalog under these names: Demethyl Rhod–2 AM, Demethyl Rhod-2 AM, Xanthylium, 9-[4-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-3-[2-[2-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]phenoxy]ethoxy]phenyl]-3,6-bis(dimethylamino)-, bromide (1:1), 80%. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 1mg, 1 mg.

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

[9-[4-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-3-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium bromide (CAS 129787-64-0) is a chemical compound with the molecular formula C51H57BrN4O19 and a molecular weight of 1109.9 g/mol. IUPAC name: [9-[4-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-3-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium bromide. InChIKey: AUBOYHPXSKFYOA-UHFFFAOYSA-M.

Identity
Molecular formulaC51H57BrN4O19
Molecular weight1109.9 g/mol
IUPAC name[9-[4-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-3-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium bromide
InChIKeyAUBOYHPXSKFYOA-UHFFFAOYSA-M
SMILESCC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=C(C=C(C=C1)C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C)OCCOC5=CC=CC=C5N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C.[Br-]

Computed by PubChem (NCBI)