CHF-6333 (xinafoate)

cas: 3071964-44-5 — see every product listed under this CAS number, including other names

CHF-6333 (xinafoate) (CAS 3071964-44-5) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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

2-carboxynaphthalen-1-olate;2-[5-cyano-2-[(5R)-6-methoxycarbonyl-7-methyl-3-oxo-8-[3-(trifluoromethyl)phenyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]phenyl]ethyl-trimethylazanium (CAS 3071964-44-5) is a chemical compound with the molecular formula C38H35F3N6O6 and a molecular weight of 728.7 g/mol. IUPAC name: 2-carboxynaphthalen-1-olate;2-[5-cyano-2-[(5R)-6-methoxycarbonyl-7-methyl-3-oxo-8-[3-(trifluoromethyl)phenyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]phenyl]ethyl-trimethylazanium. InChIKey: YHTRTIHMDPAQKX-GNAFDRTKSA-N.

Identity
Molecular formulaC38H35F3N6O6
Molecular weight728.7 g/mol
IUPAC name2-carboxynaphthalen-1-olate;2-[5-cyano-2-[(5R)-6-methoxycarbonyl-7-methyl-3-oxo-8-[3-(trifluoromethyl)phenyl]-2,5-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl]phenyl]ethyl-trimethylazanium
InChIKeyYHTRTIHMDPAQKX-GNAFDRTKSA-N
SMILESCC1=C([C@H](N2C(=O)NN=C2N1C3=CC=CC(=C3)C(F)(F)F)C4=C(C=C(C=C4)C#N)CC[N+](C)(C)C)C(=O)OC.C1=CC=C2C(=C1)C=CC(=C2[O-])C(=O)O

Computed by PubChem (NCBI)

Synonyms: orb3174385

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