Products 1354055-68-7

CAS 1354055-68-7 appears in our catalog under these names: Rupatadine EP Impurity A, Rupatadine Impurity 11, Rupatadine Impurity 6(Rupatadine EP Impurity A), Rupatadine Fumarate - Impurity A. Offered by: Chemat Brand, Hubei YoungXin, TRC. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

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

2-[3-[[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]methyl]-5-methylpyridin-1-ium-1-yl]butanedioic acid (CAS 1354055-68-7) is a chemical compound with the molecular formula C30H31ClN3O4+ and a molecular weight of 533.0 g/mol. IUPAC name: 2-[3-[[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]methyl]-5-methylpyridin-1-ium-1-yl]butanedioic acid. InChIKey: TYEBSKZDBGHZPL-UHFFFAOYSA-O.

Identity
Molecular formulaC30H31ClN3O4+
Molecular weight533.0 g/mol
IUPAC name2-[3-[[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]methyl]-5-methylpyridin-1-ium-1-yl]butanedioic acid
InChIKeyTYEBSKZDBGHZPL-UHFFFAOYSA-O
SMILESCC1=CC(=C[N+](=C1)C(CC(=O)O)C(=O)O)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2

Computed by PubChem (NCBI)