Products 229005-80-5

CAS 229005-80-5 appears in our catalog under these names: TAK-779/ 99.58% (existing batch purity), TAK-779, 99.89%, TAK-779, 98%, N,N-Dimethyl-N-(4-(2-(p-tolyl)-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride, 98%, Tak-779 >= 98 % HPLC. Offered by: TargetMol, MedChemExpress, Ambeed, BLDpharm, Sigma-Aldrich. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 10 mg, 100 mg.

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

Dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium chloride (CAS 229005-80-5) is a chemical compound with the molecular formula C33H39ClN2O2 and a molecular weight of 531.1 g/mol. IUPAC name: dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium chloride. InChIKey: VDALIBWXVQVFGZ-UHFFFAOYSA-N.

Identity
Molecular formulaC33H39ClN2O2
Molecular weight531.1 g/mol
IUPAC namedimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium chloride
InChIKeyVDALIBWXVQVFGZ-UHFFFAOYSA-N
SMILESCC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2.[Cl-]

Computed by PubChem (NCBI)