Products 2097674-16-1

CAS 2097674-16-1 appears in our catalog under these names: Ponatinib Impurity 2, Ponatinib Impurity 5. Offered by: Chemat Brand. Available pack sizes: on request.

Ponatinib Impurity 2
Chemat Brand
  • size: on request
  • Variants: 1
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Ponatinib Impurity 5
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

4-methyl-3-[4-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]buta-1,3-diynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide (CAS 2097674-16-1) is a chemical compound with the molecular formula C46H46F6N6O2 and a molecular weight of 828.9 g/mol. IUPAC name: 4-methyl-3-[4-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]buta-1,3-diynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide. InChIKey: SSECFDGBBMGKGU-UHFFFAOYSA-N.

Identity
Molecular formulaC46H46F6N6O2
Molecular weight828.9 g/mol
IUPAC name4-methyl-3-[4-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]buta-1,3-diynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
InChIKeySSECFDGBBMGKGU-UHFFFAOYSA-N
SMILESCC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC#CC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)CN6CCN(CC6)C)C(F)(F)F)C

Computed by PubChem (NCBI)

Synonyms: Ponatinib Impurity 1