(7R,14R)-11-(2-(1-Aminocyclobutyl)pyrimidin-5-yl)-1-(difluoromethoxy)-6-methyl-6,7-dihydro-7,14-methanobenzo[f]benzo[4,5]imidazo[1,2-a][1,4]diazocin-5(14H)-one, 98%

cas: 2248726-53-4 — see every product listed under this CAS number, including other names

(7R,14R)-11-(2-(1-Aminocyclobutyl)pyrimidin-5-yl)-1-(difluoromethoxy)-6-methyl-6,7-dihydro-7,14-methanobenzo[f]benzo[4,5]imidazo[1,2-a][1,4]diazocin-5(14H)-one, 98% (CAS 2248726-53-4) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg. Offered by: BLDpharm.

• 2D
• 3D

(1R,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-2,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-3(8),4,6,9,14(19),15,17-heptaen-13-one (CAS 2248726-53-4) is a chemical compound with the molecular formula C27H24F2N6O2 and a molecular weight of 502.5 g/mol. IUPAC name: (1R,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-2,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-3(8),4,6,9,14(19),15,17-heptaen-13-one. InChIKey: UROFXMLQPAUCGV-WOJBJXKFSA-N.

Identity

Molecular formula	C27H24F2N6O2
Molecular weight	502.5 g/mol
IUPAC name	(1R,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-2,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-3(8),4,6,9,14(19),15,17-heptaen-13-one
InChIKey	UROFXMLQPAUCGV-WOJBJXKFSA-N
SMILES	CN1[C@@H]2C[C@H](C3=C(C1=O)C=CC=C3OC(F)F)N4C2=NC5=C4C=C(C=C5)C6=CN=C(N=C6)C7(CCC7)N

Computed by PubChem (NCBI)

Synonyms: balinatunfib, TNF|A activity modulator 3, balinatunfib [INN], Balinatunfib [WHO-DD], Balinatunfib (USAN/INN), BALINATUNFIB [USAN], TNFalpha activity modulator 3, orb2663617, UROFXMLQPAUCGV-WOJBJXKFSA-N

Isomers (same molecular formula)

(1S,11R)-5-[2-(1-aminocyclobutyl)pyrimidin-5-yl]-18-(difluoromethoxy)-12-methyl-8,9,12-triazapentacyclo[9.8.1.02,10.03,8.014,19]icosa-2,4,6,9,14(19),15,17-heptaen-13-one C₂₇H₂₄F₂N₆O₂