Abacavir
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Abacavir
structure -
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CAS No:
136470-78-5
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Formula:
C14H18N6O
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Chemical Name:
Abacavir
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Synonyms:
2-Cyclopentene-1-methanol,4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-,(1S,4R)-;2-Cyclopentene-1-methanol,4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-,(1S-cis)-;(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-methanol;Abacavir;1592U89;ABC;(-)-Abacavir
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Categories:
Active Pharmaceutical Ingredients > Synthetic Anti-infective Drugs
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CAS No:
Description
Abacavir is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. IC50 value:Target: NRTI; reverse transcriptase inhibitorAbacavir is a nucleoside reverse transcriptase inhibitor marketed since 1999 for the treatment of infection with the human immunodeficiency virus type 1 (HIV). Despite its clinical efficacy, abacavir administration has been associated with serious and sometimes fatal toxic events. Abacavir has been reported to undergo bioactiv
Characteristics
102
1.1
Solid
1.7±0.1 g/cm3
165°
636.0±65.0 °C at 760 mmHg
338.4±34.3 °C
1.864
1.21e+00 g/L
Refrigerator
4.77E-17mmHg at 25°C
D20 -59.7°; 43620 -127.8°; 36520 -218.1° (c = 0.15 in methanol)
Safety Information
III
6.1(b)
UN 2810
R21:Harmful in contact with skin. R23/25:Toxic by inhalation and if swallowed . R43:May cause sensitization by skin contact. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
S36/37-S45-S60-S61
GY5979200
T,N
P201, P202, P261, P272, P280, P281, P302+P352, P305+P351+P338, P308+P313, P310, P321, P333+P313, P363, P405, P501
H317
Computed Properties
Molecular Weight:286.33
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:286.15420922
Monoisotopic Mass:286.15420922
Topological Polar Surface Area:102
Heavy Atom Count:21
Complexity:414
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
It is converted into the active metabolite carbavir triphosphate (CBV-TP) by intracellular enzymes. CBV-TP inhibits the activity of HIV-1 reverse transcriptase (RT) by competing with the natural substrate dGTP and inserting into viral DNA.
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Learn More Other Chemicals
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Abacavir Related CoMpound D
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Abacavir sulfate
188062-50-2
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ABACAVIR SULFATE
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Abacavir Carboxylate Formula
384380-52-3
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Abacavir 5’-Phosphate Formula
136470-77-4
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Abacavir 5'-Glucuronide Formula
384329-76-4
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Phenoxyethanol Structure
122-99-6
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4-Aminosalicylic acid Structure
65-49-6
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