Relcovaptan

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Properties Simple | Detailed

Formula C28H25Cl2N3O7S
IUPAC Name [(2r)-1-[(1r,2r)-5-chloro-3-(2-chlorobenzene-3,4,5-triid-1-yl)-1-[3-(hydroxymethoxy)-4-methoxy-benzene-2,5,6-triid-1-yl]sulfonyl-indolin-3-ide-2-carbonyl]pyrrolidin-2-yl] cyanate
Molecular Mass 618.485 g·mol−1
Heat of Formation -994.6 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 656.35 Å 3
Surface Area 493.51 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2r,3s)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-indoline-2-carbonyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2r,3s)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy2h-indole-2-carbonyl]pyrrolidine-2-carboxamide
  • (2s)-1-[[(2r,3s)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2-indolinyl]-oxomethyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[[(2r,3s)-5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonyl-3-hydroxy-2h-indol-2-yl]carbonyl]pyrrolidine-2-carboxamide
  • 1-(5-chloro-3-(2-chlorophenyl)-1-(3,4-dimethoxybenzenesulfonyl)-3-hydroxy-2,3-dihydro-1h-indole-2-carbonyl)pyrrolidine-2-carboxamide
  • 2-pyrrolidinecarboxamide, 1-((5-chloro-3-(2-chlorophenyl)-1-((3,4-dimethoxyphenyl)sulfonyl)-2,3-dihydro-3-hydroxy-1h-indol-2-yl)carbonyl)-, (2r-(2alpha(s*),3beta))-
  • sr 49059
  • sr-49059
  • sr49059
CAS Number(s)
  • 150375-75-0
InChIKey CEBYCSRFKCEUSW-NAYZPBBASA-N
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