Cas no 835621-11-9 (Regorafénib N-oxyde (M2))

Regorafénib N-oxyde (M2) structure
Regorafénib N-oxyde (M2) structure
Product Name:Regorafénib N-oxyde (M2)
CAS No:835621-11-9
MF:C21H15ClF4N4O4
MW:498.814817667007
CID:1808815
Update Time:2024-10-26

Regorafénib N-oxyde (M2) Chemical and Physical Properties

Names and Identifiers

    • 2-Pyridinecarboxamide,4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, 1-oxide
    • Regorafenib (Pyridine)-N-oxide
    • Regorafenib N-Oxide (M2 Metabolite)
    • Regorafénib N-oxyde (M2)
    • Inchi: 1S/C21H15ClF4N4O4/c1-27-19(31)18-10-13(6-7-30(18)33)34-12-3-5-17(16(23)9-12)29-20(32)28-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,28,29,32)
    • InChI Key: NUCXNEKIESREQY-UHFFFAOYSA-N
    • SMILES: O=C(NC1C(F)=CC(OC2C=C(C(NC)=O)[N+]([O-])=CC=2)=CC=1)NC1C=C(C(F)(F)F)C(Cl)=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 9

Regorafénib N-oxyde (M2) Security Information

  • Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month

Regorafénib N-oxyde (M2) Pricemore >>

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