Sibrafiban

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Properties Simple | Detailed

Formula C20H28N4O6
IUPAC Name ethyl 2-[[1-[(2s)-2-[[4-[(z)-n'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]-4-piperidyl]oxy]acetate
Molecular Mass 420.460 g·mol−1
Heat of Formation -872.1 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 502.76 Å 3
Surface Area 446.0 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[1-[(2s)-2-[[4-(aminocarbohydroximoyl)benzoyl]amino]propanoyl]-4-piperidyl]oxy]acetic acid ethyl ester
  • 2-[[1-[(2s)-2-[[[4-[(z)-amino-hydroxyiminomethyl]phenyl]-oxomethyl]amino]-1-oxopropyl]-4-piperidinyl]oxy]acetic acid ethyl ester
  • d05834
  • ethyl 2-[1-[(2s)-2-[[4-(n'-hydroxycarbamimidoyl)benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetate
  • ethyl 2-[1-[(2s)-2-[[4-(n'-hydroxycarbamimidoyl)phenyl]carbonylamino]propanoyl]piperidin-4-yl]oxyethanoate
  • ethyl 2-[[1-[(2s)-2-[[4-(n'-hydroxycarbamimidoyl)benzoyl]amino]propanoyl]-4-piperidyl]oxy]acetate
  • g-7333
  • ro-48-3657
  • ro-48-3657/000
  • sibrafiban (usan)
  • xubix
CAS Number(s)
  • 172927-65-0
InChIKey WBNUCLPUOSXSNJ-ZDUSSCGKSA-N
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