ChemSpider 2D Image | Eptifibatide | C35H49N11O9S2

Eptifibatide

  • Molecular FormulaC35H49N11O9S2
  • Average mass831.962 Da
  • Monoisotopic mass831.315613 Da
  • ChemSpider ID10482060
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid [ACD/IUPAC Name]
[(3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]essigsäure [German] [ACD/IUPAC Name]
188627-80-7 [RN]
7717
7H-Pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosine-17-acetic acid, 3-(aminocarbonyl)-11-[4-[(aminoiminomethyl)amino]butyl]docosahydro-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxo-, (3R,11S,17S,20S,25aS)- [ACD/Index Name]
Acide [(3R,11S,17S,20S,25aS)-11-(4-carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylméthyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acétique [French] [ACD/IUPAC Name]
eptifibatida [Spanish] [INN]
eptifibatide [French] [INN]
Eptifibatide [INN] [Wiki]
eptifibatidum [Latin] [INN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      B01AC16 Wikidata Q2295855
    • Chemical Class:

      A synthetic homodetic cyclic peptide comprising <element>N</element><smallsup><locant>alpha</locant></smallsup>-(3-sulfanylpropanoyl)homoarginyl, glycyl, aspartyl, tryptophyl, prolyl and cysteinamide residues connected in sequence and cyclised via a disulfide bond. Derived from a protein found in the venom of the southeastern pygmy rattlesnake, <ital>Sistrurus miliarus barbouri</ital>, eptifibatid e is an anti-coagulant that inhibits platelet aggregation by selectively blocking the platelet glycoprotein IIb/IIIa receptor, so preventing the binding of fibrinogen, von Willebrand factor, and other adhesive ligands. It is used in the management of unstable angina and in patients undergoing coronary angioplasty and stenting procedures. ChEBI CHEBI:291902
    • Drug Status:

      approved BIONET-Key Organics HS-2011
    • Bio Activity:

      Antiplatelet drug of the glycoprotein IIb/IIIa inhibitor class;; Used to reduce the risk of acute cardiac ischemic events InterBioScreen [Bio-0978]
      Eptifibatide is an antiplatelet drug of the glycoprotein IIb/IIIa inhibitor class. MedChem Express
      Eptifibatide is an antiplatelet drug of the glycoprotein IIb/IIIa inhibitor class.; Target: Others; Eptifibatide is an anti-coagulant that selectively blocks the platelet glycoprotein IIb/IIIa receptor. MedChem Express HY-B0686
      Eptifibatide is an antiplatelet drug of the glycoprotein IIb/IIIa inhibitor class.;Target: Eptifibatide is an anti-coagulant that selectively blocks the platelet glycoprotein IIb/IIIa receptor. Eptifibatide is a cyclic heptapeptide derived from a protein found in the venom of the southeastern pygmy rattlesnake (Sistrurus miliarus barbouri). It belongs to the class of the so called arginin-glycin-aspartat-mimetics and reversibly binds to platelets [1, 2]. MedChem Express HY-B0686
      Glycoprotein (GP) IIb/IIIa inhibitor. Reversibly and competitively binds to GPIIa/IIIb on platelets, inhibiting aggregation. Tocris Bioscience 4725
      Glycoprotein IIb/IIIa inhibitor; inhibits platelet aggregation Tocris Bioscience 4725
      Others MedChem Express HY-B0686
      Platelet aggregation inhibitor; Fibrinogen (glycoprotein IIb/IIIa) receptor antagonist InterBioScreen [Bio-0978]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 208.0±0.5 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.84
ACD/LogD (pH 5.5): -6.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 374 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 75.9±7.0 dyne/cm
Molar Volume: 518.5±7.0 cm3

Click to predict properties on the Chemicalize site





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