Products 2734676-68-5

CAS 2734676-68-5 appears in our catalog under these names: Nintedanib Impurity 51, Nintedanib N,N-Dioxide (Intedanib N,N-Dioxide). Offered by: Chemat Brand. Available pack sizes: on request.

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

Methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methyl-1,4-dioxidopiperazine-1,4-diium-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate (CAS 2734676-68-5) is a chemical compound with the molecular formula C31H33N5O6 and a molecular weight of 571.6 g/mol. IUPAC name: methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methyl-1,4-dioxidopiperazine-1,4-diium-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate. InChIKey: UGEGJAQWOFSWLP-UHFFFAOYSA-N.

Identity
Molecular formulaC31H33N5O6
Molecular weight571.6 g/mol
IUPAC namemethyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methyl-1,4-dioxidopiperazine-1,4-diium-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
InChIKeyUGEGJAQWOFSWLP-UHFFFAOYSA-N
SMILESCN(C1=CC=C(C=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)OC)O)C(=O)C[N+]5(CC[N+](CC5)(C)[O-])[O-]

Computed by PubChem (NCBI)