N-(4-{[(5R)-7-Chloro-5-Hydroxy-2,3,4,5-Tetrahydro-1H-1-Benzazepin-1-Yl]Carbonyl}-3-Methylphenyl)-2-Methylbenzamide

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Properties Simple | Detailed

Formula C26H25ClN2O3
IUPAC Name n-[4-[(5r)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide
Molecular Mass 448.941 g·mol−1
Heat of Formation -367.3 ± 16.7 kJ·mol−1
Dipole Moment 9.19 ± 1.08 D
Volume 527.8 Å 3
Surface Area 439.5 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
Synonyms
  • d01213
  • n-[4-[(5r)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methyl-phenyl]-2-methyl-benzamide
  • n-[4-[(5r)-7-chloro-5-hydroxy2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]-3-methylphenyl]-2-methylbenzamide
  • n-[4-[[(5r)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-oxomethyl]-3-methylphenyl]-2-methylbenzamide
  • n-[4-[[(5r)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl]carbonyl]-3-methyl-phenyl]-2-methyl-benzamide
  • tolvaptan
  • tolvaptan (jan/usan)
CAS Number(s)
  • 150683-30-0
InChIKey GYHCTFXIZSNGJT-XMMPIXPASA-N
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