Atrasentan

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Properties Simple | Detailed

Formula C29H38N2O6
IUPAC Name (2r,3r,4s)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular Mass 510.622 g·mol−1
Heat of Formation -946.5 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 634.5 Å 3
Surface Area 503.99 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 2.84 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-a 127722
  • (+)-a-127722
  • (2r,3r,4s)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
  • (2r,3r,4s)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
  • (2r,3r,4s)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid
  • (2r,3r,4s)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
  • 2r-(4-methoxyphenyl)-4s(1,3-benzodioxol-5-yl)-1-(n,n-di(n-butyl)aminocarbonyl-methyl)-pyrrolidine-3r-carboxylic acid
  • 3-pyrrolidinecarboxylic acid, 4-(1,3-benzodioxo-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-, (2r,3r,4s)-
  • 3-pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-, (2r-(2alpha,3beta,4alpha))-
  • a-147627
  • abt 627
  • abt-627
  • arasentan
  • xinlay
InChIKey MOTJMGVDPWRKOC-QPVYNBJUSA-N
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