Ertiprotafib

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Formula C31H27BrO3S
IUPAC Name (2r)-2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenoxy]-3-phenyl-propanoic acid
Molecular Mass 559.513 g·mol−1
Heat of Formation -250.8 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 611.31 Å 3
Surface Area 478.07 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(4-(9-bromo-2,3-dimethylnaphtho(2,3-b)thiophen-4-yl)-2,6-dimethylphenoxy)-3-phenylpropionic acid
  • (2r)-2-[4-(9-bromo-2,3-dimethyl-4-benzo[f]benzothiophenyl)-2,6-dimethylphenoxy]-3-phenylpropanoic acid
  • (2r)-2-[4-(9-bromo-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2,6-dimethyl-phenoxy]-3-phenyl-propanoic acid
  • (2r)-2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenoxy]-3-phenyl-propanoic acid
  • (2r)-2-[4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2,6-dimethyl-phenoxy]-3-phenyl-propionic acid
  • (2r)-2-[4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2,6-dimethylphenoxy]-3-phenylpropanoic acid
  • benzenepropanoic acid, alpha-(4-(9-bromo-2,3-dimethylnaphtho(2,3-b)thien-4-yl)-2,6-dimethylphenoxy)-,(alpha r)-
  • d04050
  • ertiprotafib (usan)
  • ptp-112
CAS Number(s)
  • 251303-04-5
InChIKey FONCZICQWCUXEB-RUZDIDTESA-N
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Elements S H C Br O