Orteronel

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Formula C18H17N3O2
IUPAC Name 6-[(7s)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-4-ium-7a-ylium-7-yl]-n-methyl-naphthalene-2-carboxamide
Molecular Mass 307.346 g·mol−1
Heat of Formation -21.9 ± 16.7 kJ·mol−1
Dipole Moment 8.54 ± 1.08 D
Volume 360.73 Å 3
Surface Area 325.56 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(7s)-7-hydroxy-5,6-dihydropyrrolo[2,1-e]imidazol-7-yl]-n-methyl-2-naphthalenecarboxamide
  • 6-[(7s)-7-hydroxy-5,6-dihydropyrrolo[2,1-e]imidazol-7-yl]-n-methyl-2-naphthamide
  • 6-[(7s)-7-hydroxy-5,6-dihydropyrrolo[2,1-e]imidazol-7-yl]-n-methyl-naphthalene-2-carboxamide
  • 6-[(7s)-7-hydroxy-5,6-dihydropyrrolo[2,1-e]imidazol-7-yl]-n-methylnaphthalene-2-carboxamide
InChIKey OZPFIJIOIVJZMN-SFHVURJKSA-N
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