Products 2250106-07-9

CAS 2250106-07-9 is the registry number for Regorafenib N-beta-D-Glucuronide (Pyridine)-N-oxide. Offered by: TRC. Available pack sizes: 25mg.

Regorafenib N-beta-D-Glucuronide (Pyridine)-N-oxide
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-6-[4-chloro-N-[[2-fluoro-4-[2-(methylcarbamoyl)-1-oxidopyridin-1-ium-4-yl]oxyphenyl]carbamoyl]-3-(trifluoromethyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 2250106-07-9) is a chemical compound with the molecular formula C27H23ClF4N4O10 and a molecular weight of 674.9 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-6-[4-chloro-N-[[2-fluoro-4-[2-(methylcarbamoyl)-1-oxidopyridin-1-ium-4-yl]oxyphenyl]carbamoyl]-3-(trifluoromethyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: LOLUKXOUCZJFON-QMDPOKHVSA-N.

Identity
Molecular formulaC27H23ClF4N4O10
Molecular weight674.9 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[4-chloro-N-[[2-fluoro-4-[2-(methylcarbamoyl)-1-oxidopyridin-1-ium-4-yl]oxyphenyl]carbamoyl]-3-(trifluoromethyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyLOLUKXOUCZJFON-QMDPOKHVSA-N
SMILESCNC(=O)C1=[N+](C=CC(=C1)OC2=CC(=C(C=C2)NC(=O)N([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC(=C(C=C4)Cl)C(F)(F)F)F)[O-]

Computed by PubChem (NCBI)

Synonyms: Regorafenib metabolite M8