Rupatadine Impurity 11

cas: 1354055-68-7 — see every product listed under this CAS number, including other names

Rupatadine Impurity 11 (CAS 1354055-68-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-R459111
cas1354055-68-7
sizeon request
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properties

purityNo data
delivery timeTo be confirmed by Chemat
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)

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