4-(3-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)carbamoyl)phenyl)-1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine 1-oxide, 98%, 98%

cas: 2469279-00-1 — see every product listed under this CAS number, including other names

4-(3-((1H-Pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(((3-nitro-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)phenyl)sulfonyl)carbamoyl)phenyl)-1-((4'-chloro-5,5-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazine 1-oxide, 98%, 98% (CAS 2469279-00-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 250mg, 1g. Offered by: Chemat.

• 2D
• 3D

4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-4-oxidopiperazin-4-ium-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide (CAS 2469279-00-1) is a chemical compound with the molecular formula C45H50ClN7O8S and a molecular weight of 884.4 g/mol. IUPAC name: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-4-oxidopiperazin-4-ium-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide. InChIKey: CICPMKALXAZATM-UHFFFAOYSA-N.

Identity

Molecular formula	C45H50ClN7O8S
Molecular weight	884.4 g/mol
IUPAC name	4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-4-oxidopiperazin-4-ium-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
InChIKey	CICPMKALXAZATM-UHFFFAOYSA-N
SMILES	CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)C[N+]3(CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)[O-])C

Computed by PubChem (NCBI)

Synonyms: Venetoclax N-oxide, N-(4-piperazinyl)-oxide ABT 199, Alverine N-Oxide, VenetoclaxEN-Oxide, Venetoclax Impuritry 7, Venetoclax impurity 05, orb1983276, Venetoclax Impurity 3 (Venetoclax N-Oxide), N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine oxide

Isomers (same molecular formula)

4-[(3R)-4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3-methylpiperazin-1-yl]-N-[4-[[(2S)-1,4-dioxan-2-yl]methylamino]-3-nitrophenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide C₄₅H₅₀ClN₇O₈S