(4S,7S,12Br)-7-{[(2S)-1-Ethoxy-1-Oxo-4-Phenyl-2-Butanyl]Amino}-6-Oxo-1,2,3,4,6,7,8,12B-Octahydropyrido[2,1-A][2]Benzazepine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C27H32N2O5
IUPAC Name (4s,7s,12br)-7-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1h-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
Molecular Mass 464.553 g·mol−1
Heat of Formation 179.7 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 554.52 Å 3
Surface Area 438.23 Å 2
Point Group Symmetry C1
Synonyms
  • (4s,7s,12br)-7-[[(1s)-1-carbethoxy-3-phenyl-propyl]amino]-6-keto-2,3,4,7,8,12b-hexahydro-1h-pyrido[6,1-a][2]benzazepine-4-carboxylic acid
  • (4s,7s,12br)-7-[[(1s)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1h-pyrido[6,1-a][2]benzazepine-4-carboxylic acid
  • (4s,7s,12br)-7-[[(1s)-1-ethoxycarbonyl-3-phenylpropyl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1h-pyrido[6,1-a][2]benzazepine-4-carboxylic acid
  • (4s,7s,12br)-7-[[(2s)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1h-pyrido[6,1-a][2]benzazepine-4-carboxylic acid
  • (4s,7s,12br)-7-[[(2s)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-2,3,4,7,8,12b-hexahydro-1h-pyrido[6,1-a][2]benzazepine-4-carboxylic acid
  • 7-(ethoxycarbonyl-3-phenylpropyl)amino-1,2,3,4,6,7,8,12b-octahydro-6-oxopyrido(2,1-a)(2)benzazepine-4-carboxylic acid
  • mdl 27210
  • mdl-27210
  • pyrido(2,1-a)(2)benzazepine-4-carboxylic acid, 7-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1,2,3,4,6,7,8,12b-octahydro-6-oxo-, (4s-(4alpha,7alpha(r*),12bbeta))-
CAS Number(s)
  • 111581-94-3
InChIKey DWLMFLPIKHXXIA-XQUALCHDSA-N
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