Tirofiban

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Properties Simple | Detailed

Formula C22H36N2O5S
IUPAC Name (2s)-2-(butylsulfonylamino)-3-[4-(4-piperidin-1-ium-4-ylbutoxy)phenyl]propanoate
Molecular Mass 440.597 g·mol−1
Heat of Formation -967.1 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 551.36 Å 3
Surface Area 477.81 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
  • (2s)-2-(butylsulfonylamino)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid
  • (2s)-2-(butylsulfonylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic acid
  • (2s)-2-(butylsulfonylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propionic acid
  • n-(butylsulfonyl)-o-(4-(4-piperidyl)butyl)-l-tyrosine
CAS Number(s)
  • 151065-53-1
InChIKey COKMIXFXJJXBQG-NRFANRHFSA-N
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