Abacavir hydrochloride monohydrateProduct ingredient for Abacavir
- Name
- Abacavir hydrochloride monohydrate
- 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
- DBSALT003040
- Structure
Structure for Abacavir hydrochloride monohydrate (DBSALT003040)
- Synonyms
- Not Available
- UNII
- GZP7A66C3C
- CAS Number
- Not Available
- Weight
- Average: 340.81
Monoisotopic: 340.1414516 - Chemical Formula
- C14H21ClN6O2
- InChI Key
- XYDFTVTUCLYHFD-WAZPLGGWSA-N
- InChI
- InChI=1S/C14H18N6O.ClH.H2O/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);1H;1H2/t8-,10+;;/m1../s1
- IUPAC Name
- [(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl]methanol hydrate hydrochloride
- SMILES
- O.Cl.NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1
- External Links
- Not Available
- 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 4 Chemaxon Refractivity 82.62 m3·mol-1 Chemaxon Polarizability 30.42 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon