Products 3029792-02-4

CAS 3029792-02-4 is the registry number for Nintedanib N-oxide. Offered by: Sigma-Aldrich. Available pack sizes: 25MG.

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

Methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methyl-4-oxidopiperazin-4-ium-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate (CAS 3029792-02-4) is a chemical compound with the molecular formula C31H33N5O5 and a molecular weight of 555.6 g/mol. IUPAC name: methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methyl-4-oxidopiperazin-4-ium-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate. InChIKey: DJIYCLAQJWFFPL-UHFFFAOYSA-N.

Identity
Molecular formulaC31H33N5O5
Molecular weight555.6 g/mol
IUPAC namemethyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methyl-4-oxidopiperazin-4-ium-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
InChIKeyDJIYCLAQJWFFPL-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)CN5CC[N+](CC5)(C)[O-]

Computed by PubChem (NCBI)