1.0 2016-05-22 05:44:50 UTC 2026-08-19 06:29:59 UTC Abacavir SmallMolecule Abacavir is an organic compound with the chemical formula C14H18N6O and an average molecular weight of 286.34 g/mol. Abacavir belongs to the cyclopentyl nucleosides, a subclass of nucleoside and nucleotide analogues within the organic compounds. This compound is recorded as being found in or released from four sources: electrical and electronic equipment, specifically video games and television systems; healthcare, pharmaceuticals, and veterinary products, specifically antivirals; and household cleaning and consumer products, specifically non electric simulated smoking devices. The recorded route of exposure for this substance is oral. In terms of biological activity, abacavir acts on two recorded protein targets, serving as an inhibitor of the Gag-Pol polyprotein (gag-pol) and Reverse transcriptase/RNaseH (pol). Human Neurotoxin C14H18N6O 286.339 286.154209224 [(1S,4S)-4-[6-(cyclopropylamino)-2-imino-2,9-dihydro-1H-purin-9-yl]cyclopent-2-en-1-yl]methanol [(1S,4S)-4-[6-(cyclopropylamino)-2-imino-1H-purin-9-yl]cyclopent-2-en-1-yl]methanol 136470-78-5 [H][C@]1(CO)C[C@@]([H])(C=C1)N1C=NC2=C(NC3CC3)NC(=N)N=C12 InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10-/m1/s1 MCGSCOLBFJQGHM-PSASIEDQSA-N Organic compounds Nucleosides, nucleotides, and analogues Nucleoside and nucleotide analogues Cyclopentyl nucleosides 1,3-substituted cyclopentyl purine nucleosides 6-alkylaminopurines Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidolactams N-substituted imidazoles Organopnictogen compounds Primary alcohols Primary amines Secondary alkylarylamines 1,3-substituted cyclopentyl purine nucleoside 6-alkylaminopurine 6-aminopurine Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Primary amine Purine Pyrimidine Secondary aliphatic/aromatic amine Secondary amine Aromatic heteropolycyclic compounds Detected and Not Quantified Abacavir Action Pathway SMP0000737 Abacavir Action Pathway (New) SMP0122811 Abacavir Drug Metabolism SMP0130883 Abacavir Drug Metabolism Action Pathway SMP0143474 logp 0.39 logp -0.17 ALOGPS logs -3.26 ALOGPS solubility 1.58e-01 g/l ALOGPS logp -0.34 ChemAxon pka_strongest_acidic 9.75 ChemAxon pka_strongest_basic 1.59 ChemAxon iupac [(1S,4S)-4-[6-(cyclopropylamino)-2-imino-2,9-dihydro-1H-purin-9-yl]cyclopent-2-en-1-yl]methanol ChemAxon average_mass 286.339 ChemAxon mono_mass 286.154209224 ChemAxon smiles [H][C@]1(CO)C[C@@]([H])(C=C1)N1C=NC2=C(NC3CC3)NC(=N)N=C12 ChemAxon formula C14H18N6O ChemAxon inchi InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10-/m1/s1 ChemAxon inchikey MCGSCOLBFJQGHM-PSASIEDQSA-N ChemAxon polar_surface_area 96.1 ChemAxon refractivity 100.23 ChemAxon polarizability 30.74 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267574bb8> DB01048 441300 390063 BE0004136 BE0002050