Ibrutinib Impurity 18

cas: 1917333-91-5 — see every product listed under this CAS number, including other names

Ibrutinib Impurity 18 (CAS 1917333-91-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberAO-I0039.23
cas1917333-91-5
sizeon request
availability In stock
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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)

Synonyms: Ibrutinib Impurity 10, N1,N6 [ 1,3-(1-Oxopropylene)] Ibrutinib, orb3181394
Isomers (same molecular formula)
N-[3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-yl]prop-2-enamide C28H26N6O3
3-imidazo[1,2-a]pyridin-3-yl-4-[10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]pyrrole-2,5-dione C28H26N6O3

Also listed as

Ibrutinib Impurity 23 Chemat Brand CAS 1917333-91-5
N1,N6 ( 1,3-(1-Oxopropylene)) Ibrutinib TRC CAS 1917333-91-5
Ibrutinib Impurity 6 Biosynth CAS 1917333-91-5
(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% Chemat CAS 1917333-91-5
Ibrutinib impurity 23, 98.80% MedChemExpress CAS 1917333-91-5
(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% Fluorochem CAS 1917333-91-5