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Substance Name: Afoxolaner, (S)-
RN: 1096103-99-9
UNII: 46658IQN7V
InChIKey: OXDDDHGGRFRLEE-QHCPKHFHSA-N

Molecular Formula

  • C26-H17-Cl-F9-N3-O3

Molecular Weight

  • 625.8733
 
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Names and Synonyms

Name of Substance

  • Afoxolaner, (S)-

Synonyms

  • 1-Naphthalenecarboxamide, 4-((5S)-5-(3-chloro-5-(trifluoromethyl)phenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-
  • Afoxolaner, (S)-
  • UNII-46658IQN7V

Registry Numbers

CAS Registry Number

  • 1096103-99-9

FDA UNII

  • 46658IQN7V

System Generated Number

  • 1096103999

Structure Descriptors

InChI

1S/C26H17ClF9N3O3/c27-15-8-13(7-14(9-15)25(31,32)33)23(26(34,35)36)10-20(39-42-23)18-5-6-19(17-4-2-1-3-16(17)18)22(41)37-11-21(40)38-12-24(28,29)30/h1-9H,10-12H2,(H,37,41)(H,38,40)/t23-/m0/s1

InChIKey

OXDDDHGGRFRLEE-QHCPKHFHSA-N

Smiles

c1ccc2c(c1)c(ccc2C(=O)NCC(=O)NCC(F)(F)F)C3=NO[C@@](C3)(c4cc(cc(c4)Cl)C(F)(F)F)C(F)(F)F