Abacavir sulfateProduct ingredient for Abacavir
- Name
- Abacavir sulfate
- Drug Entry
- Abacavir
Abacavir (ABC) is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. Chemically, it is a synthetic carbocyclic nucleoside and is the enantiomer with 1S, 4R absolute configuration on the cyclopentene ring. In vivo, abacavir sulfate dissociates to its free base, abacavir.
- Accession Number
- DBSALT000871
- Structure
Structure for Abacavir sulfate (DBSALT000871)
- Synonyms
- Abacavir sulfate / ABC
- External IDs
- DRG-0257
- UNII
- J220T4J9Q2
- CAS Number
- 188062-50-2
- Weight
- Average: 670.743
Monoisotopic: 670.275797698 - Chemical Formula
- C28H38N12O6S
- InChI Key
- WMHSRBZIJNQHKT-FFKFEZPRSA-N
- InChI
- InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1
- IUPAC Name
- bis([(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl]methanol); sulfuric acid
- SMILES
- OS(O)(=O)=O.NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1.NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1
- External Links
- Predicted Properties
Property Value Source Water Solubility 1.21 mg/mL ALOGPS logP 0.61 ALOGPS logP 0.39 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 15.41 Chemaxon pKa (Strongest Basic) 5.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 101.88 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 82.62 m3·mol-1 Chemaxon Polarizability 30.47 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon