Abacavir (136470-78-5)

The Abacavir , with cas registry number of 136470-78-5, is called ABC for short. It belongs to classification codes which are Anti-HIV Agents, Anti-Infective Agents, Anti-Retroviral Agents, Antiviral Agents, Enzyme Inhibitors, Nucleic Acid Synthesis Inhibitors, Reverse Transcriptase Inhibitors. It is also called (+/-)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol ; [(1S,4R)-4-[2-Amino-6-(cyclopropylamino)purin-9-yl]-1-cyclopent-2-enyl]methanol . Besides, its systematic name is called {(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol . And its IUPAC name is called  [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol .

Physical properties about this chemical are: (1) ACD/LogP: -0.78 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 7.4): 0.66 ; (4) ACD/BCF (pH 5.5): 1 ; (5) ACD/BCF (pH 7.4): 1.8 ; (6) ACD/KOC (pH 5.5): 4.47 ; (7) ACD/KOC (pH 7.4): 50.77 ; (8) #H bond acceptors: 7 ; (9) #H bond donors: 4 ; (10) #Freely Rotating Bonds: 4 ; (11) Polar Surface Area: 59.31 Å² ; (12) Index of Refraction: 1.864 ; (13) Molar Refractivity: 75.8 cm³ ; (14) Molar Volume: 167.6 cm³ ; (15) Surface Tension: 80.1 dyne/cm ; (16) Density: 1.7 g/cm³ ; (17) Flash Point: 338.4 °C ; (18) Enthalpy of Vaporization: 98.77 kJ/mol ; (19) Boiling Point: 636 °C at 760 mmHg ; (20) Vapour Pressure: 4.77E-17 mmHg at 25°C.

Uses of Abacavir : This compound has been used as a drug with the trade name of Ziagen. It is a kind of antiretroviral drugs approved by the Food and Drug Administration (FDA). It has tablets and oral solution. This drug is used to treat HIV and AIDS in combination with other antiretroviral agents.

You can still convert the following datas into molecular structure:
(1) SMILES:n3c1c(ncn1[C@H]2/C=C\[C@@H](CO)C2)c(nc3N)NC4CC4;
(2) InChI:InChI=1/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;
(3) InChIKey:MCGSCOLBFJQGHM-SCZZXKLOBP