1.0 2016-05-22 05:52:37 UTC 2026-08-22 11:47:25 UTC Eptifibatide SmallMolecule Eptifibatide is an organic compound with the chemical formula C35H49N11O9S2. Eptifibatide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 831.97 g/mol, Eptifibatide is a heavy molecule. This compound is found in or released from two recorded sources: antennas within electrical and electronic equipment, and antithrombotic agents within healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure for this substance is intravenous. Eptifibatide acts upon five recorded protein targets, serving as an antagonist or modulator of Integrin beta-3 (ITGB3), Voltage-dependent calcium channel subunit alpha-2/delta-1 (CACNA2D1), Voltage-dependent N-type calcium channel subunit alpha-1B (CACNA1B), Voltage-dependent calcium channel subunit alpha-2/delta-2 (CACNA2D2), and one other protein. C35H49N11O9S2 831.97 831.31561455 2-[(3R,11S,17S,20S,25aS)-11-(4-carbamimidamidobutyl)-1,9,12,15,18-pentahydroxy-3-(C-hydroxycarbonimidoyl)-20-[(1H-indol-3-yl)methyl]-21-oxo-3H,4H,7H,8H,11H,14H,17H,20H,21H,23H,24H,25H,25aH-pyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-17-yl]acetic acid eptifibatide 188627-80-7 [H][C@@]12CCCN1C(=O)[C@]([H])(CC1=CNC3=CC=CC=C13)N=C(O)[C@]([H])(CC(O)=O)N=C(O)CN=C(O)[C@]([H])(CCCCNC(N)=N)N=C(O)CCSSC[C@]([H])(N=C2O)C(O)=N InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1 CZKPOZZJODAYPZ-LROMGURASA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Glutamic acid and derivatives Amino acids Aminopyrimidines and derivatives Azacyclic compounds Benzoyl derivatives Carbonyl compounds Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Heteroaromatic compounds Hippuric acids Hydrocarbon derivatives N-acyl-alpha amino acids Organic oxides Organic sodium salts Organic zwitterions Organopnictogen compounds Primary amines Pyrimidones Pyrrolo[2,3-d]pyrimidines Secondary carboxylic acid amides Substituted pyrroles Vinylogous amides Amine Amino acid Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Benzamide Benzenoid Benzoic acid or derivatives Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid salt Dicarboxylic acid or derivatives Glutamic acid or derivatives Heteroaromatic compound Hippuric acid Hippuric acid or derivatives Hydrocarbon derivative Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic alkali metal salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Pyrimidine Pyrimidone Pyrrole Pyrrolo[2,3-d]pyrimidine Pyrrolopyrimidine Secondary carboxylic acid amide Substituted pyrrole Vinylogous amide Aromatic heteropolycyclic compounds organic sodium salt Detected and Not Quantified Eptifibatide Action Pathway (new) SMP0126461 logp -2.4 logp 0.44 ALOGPS logs -3.93 ALOGPS solubility 9.84e-02 g/l ALOGPS logp -0.46 ChemAxon pka_strongest_acidic 2.91 ChemAxon pka_strongest_basic 12.03 ChemAxon iupac 2-[(3R,11S,17S,20S,25aS)-11-(4-carbamimidamidobutyl)-1,9,12,15,18-pentahydroxy-3-(C-hydroxycarbonimidoyl)-20-[(1H-indol-3-yl)methyl]-21-oxo-3H,4H,7H,8H,11H,14H,17H,20H,21H,23H,24H,25H,25aH-pyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-17-yl]acetic acid ChemAxon average_mass 831.97 ChemAxon mono_mass 831.31561455 ChemAxon smiles [H][C@@]12CCCN1C(=O)[C@]([H])(CC1=CNC3=CC=CC=C13)N=C(O)[C@]([H])(CC(O)=O)N=C(O)CN=C(O)[C@]([H])(CCCCNC(N)=N)N=C(O)CCSSC[C@]([H])(N=C2O)C(O)=N ChemAxon formula C35H49N11O9S2 ChemAxon inchi InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1 ChemAxon inchikey CZKPOZZJODAYPZ-LROMGURASA-N ChemAxon polar_surface_area 342.33 ChemAxon refractivity 233.38 ChemAxon polarizability 83.08 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 18 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727ebfe300> DB00063 123610 110201 BE0001155 BE0000691 BE0002226 BE0002396 BE0000439