Products 1917333-91-5

CAS 1917333-91-5 appears in our catalog under these names: Ibrutinib Impurity 18, Ibrutinib Impurity 23, N1,N6 ( 1,3-(1-Oxopropylene)) Ibrutinib, Ibrutinib Impurity 6, (R)-8-(1-Acryloylpiperidin-3-yl)-10-(4-phenoxyphenyl)-3,4-dihydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidin-2(8H)-one (Ibrutinib Impurity), 98%, 98%. Offered by: Chemat Brand, TRC, Biosynth, Chemat, MedChemExpress. Available pack sizes: on request, 25mg, 500mg, 50mg, 50 mg, 25 mg, 10 mg, 5 mg.

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

3-(4-phenoxyphenyl)-5-[(3R)-1-prop-2-enoylpiperidin-3-yl]-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one (CAS 1917333-91-5) is a chemical compound with the molecular formula C28H26N6O3 and a molecular weight of 494.5 g/mol. IUPAC name: 3-(4-phenoxyphenyl)-5-[(3R)-1-prop-2-enoylpiperidin-3-yl]-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one. InChIKey: FSCNEJORXHNHBP-HXUWFJFHSA-N.

Identity
Molecular formulaC28H26N6O3
Molecular weight494.5 g/mol
IUPAC name3-(4-phenoxyphenyl)-5-[(3R)-1-prop-2-enoylpiperidin-3-yl]-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one
InChIKeyFSCNEJORXHNHBP-HXUWFJFHSA-N
SMILESC=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C6=NC(=O)CCN6C=N3

Computed by PubChem (NCBI)