3-{3-[(2R)-3-{[1-(2,3-Dihydro-1H-inden-2-yl)-2-methyl-2-propanyl]amino}-2-hydroxypropoxy]-4,5-difluorophenyl}propanoic acid | CAS No. 753449-67-1

3-{3-[(2R)-3-{[1-(2,3-Dihydro-1H-inden-2-yl)-2-methyl-2-propanyl]amino}-2-hydroxypropoxy]-4,5-difluorophenyl}propanoic acid

Basic Information

CAS Number

753449-67-1

Molecular Formula

C25H31F2NO4

Molecular Weight

447.52 g/mol

AD

Basic Physical Properties

CC(C)(CC1CC2=CC=CC=C2C1)NCC(COC3=C(C(=CC(=C3)CCC(=O)O)F)F)O

InChI

InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1

InChIKey

FQJISUPNMFRIFZ-HXUWFJFHSA-N

LogP

3.8950000000000027

Topological Polar Surface Area

78.79 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

591

Synonyms & References

English

  • SB-751689
  • DIH95YP7J3
  • Ronacaleret
  • 753449-67-1
  • NS00071912
  • CHEMBL1198855
  • SB 751689
  • SCHEMBL3737849
  • Q27276413
  • Ronacaleret [INN]
  • DTXSID60892347
  • 3-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid
  • UNII-DIH95YP7J3
  • GTPL9473
  • DB05255
  • 3-(3-(((2R)-3-((2-(2,3-DIHYDRO-1H-INDEN-2-YL)-1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPYL)OXY)-4,5-DIFLUOROPHENYL)PROPANOIC ACID
  • BENZENEPROPANOIC ACID, 3-(((2R)-3-((2-(2,3-DIHYDRO-1H-INDEN-2-YL)-1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPYL)OXY)-4,5-DIFLUORO-
  • BDBM50346036
  • Benzenepropanoic acid, 3-[(2R)-3-[[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino]-2-hydroxypropoxy]-4,5-difluoro-
  • (2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol,propanoic acid

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