((2S)-7-(4,4'-Bipiperidin-1-Ylcarbonyl)-4-Methyl-3-Oxo-2,3,4,5-Tetrahydro-1H-1,4-Benzodiazepin-2-Yl)Acetic Acid

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Properties Simple | Detailed

Formula C23H32N4O4
IUPAC Name 2-[(2s)-4-methyl-3-oxo-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1h-1,4-benzodiazepin-2-yl]acetic acid
Molecular Mass 428.525 g·mol−1
Heat of Formation -685.5 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 520.68 Å 3
Surface Area 433.59 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-7-((4,4'-bipiperidin)-1-ylcarbonyl)-2,3,4,5-tetrahydro-4-methyl-3-oxo-1h-1,4-benzodiazepine-2-acetic acid
  • 1h-1,4-benzodiazepine-2-acetic acid, 7-((4,4'-bipiperidin)-1-ylcarbonyl)-2,3,4,5-tetrahydro-4-methyl-3-oxo-, (2s)-
  • 2-[(2s)-3-keto-4-methyl-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1h-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[(2s)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidin-1-yl)carbonyl-2,5-dihydro-1h-1,4-benzodiazepin-2-yl]ethanoic acid
  • 2-[(2s)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1h-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[(2s)-4-methyl-3-oxo-7-[4-(4-piperidyl)piperidine-1-carbonyl]-2,5-dihydro-1h-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[(2s)-4-methyl-3-oxo-7-[oxo-[4-(4-piperidinyl)-1-piperidinyl]methyl]-2,5-dihydro-1h-1,4-benzodiazepin-2-yl]acetic acid
  • lotrafiban
  • sb 214857
CAS Number(s)
  • 171049-14-2
InChIKey PYZOVVQJTLOHDG-FQEVSTJZSA-N
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