Mirabegron

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Properties Simple | Detailed

Formula C21H24N4O2S
IUPAC Name 2-(2-aminothiazol-4-yl)-n-[4-[2-[[(2r)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]acetamide
Molecular Mass 396.506 g·mol−1
Heat of Formation -46.7 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 476.61 Å 3
Surface Area 439.86 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-amino-1,3-thiazol-4-yl)-n-[4-[2-[[(2r)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]ethanamide
  • 2-(2-amino-1,3-thiazol-4-yl)-n-[4-[2-[[(2r)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
  • 2-(2-amino-4-thiazolyl)-n-[4-[2-[[(2r)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
  • 2-(2-aminothiazol-4-yl)-n-[4-[2-[[(2r)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]acetamide
InChIKey PBAPPPCECJKMCM-IBGZPJMESA-N
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