IR-Crizotinib

cas: 2387927-74-2 — see every product listed under this CAS number, including other names

IR-Crizotinib (CAS 2387927-74-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas2387927-74-2
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Structural formula: {0} (CAS {1})

5-[1-[1-[(2E,6Z)-2,6-bis[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexylidene]piperidin-1-ium-4-yl]pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine iodide (CAS 2387927-74-2) is a chemical compound with the molecular formula C53H57Cl2FIN7O and a molecular weight of 1024.9 g/mol. IUPAC name: 5-[1-[1-[(2E,6Z)-2,6-bis[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexylidene]piperidin-1-ium-4-yl]pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine iodide. InChIKey: JRMMUDKBQYQNEZ-MGDILKBHSA-M.

Identity
Molecular formulaC53H57Cl2FIN7O
Molecular weight1024.9 g/mol
IUPAC name5-[1-[1-[(2E,6Z)-2,6-bis[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexylidene]piperidin-1-ium-4-yl]pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine iodide
InChIKeyJRMMUDKBQYQNEZ-MGDILKBHSA-M
SMILESC[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CC[N+](=C\5/C(=C/C=C/6\C(C7=CC=CC=C7N6C)(C)C)/CCC/C5=C/C=C/8\C(C9=CC=CC=C9N8C)(C)C)CC4)N.[I-]

Computed by PubChem (NCBI)

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