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M  END
> <ID>
CHEBI:421707

> <NAME>
abacavir

> <DEFINITION>
A 2,6-diaminopurine that is (1S)-cyclopent-2-en-1-ylmethanol in which the pro-R hydrogen at the 4-position is substituted by a 2-amino-6-(cyclopropylamino)-9H-purin-9-yl group. A nucleoside analogue reverse transcriptase inhibitor (NRTI) with antiretroviral activity against HIV, it is used (particularly as the sulfate) with other antiretrovirals in combination therapy of HIV infection.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:441792; CHEBI:2360; CHEBI:193608; CHEBI:520984; CHEBI:525912

> <SYNONYM>
{(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol; ABC; Abacavir

> <IUPAC_NAME>
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol

> <INN>
abacavir

> <FORMULA>
C14H18N6O; C14H18N6O

> <MASS>
286.339

> <MONOISOTOPIC_MASS>
286.15421

> <CHARGE>
0

> <SMILES>
C=12N(C=NC1C(NC3CC3)=NC(=N2)N)[C@H]4C=C[C@H](C4)CO

> <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

> <INCHIKEY>
MCGSCOLBFJQGHM-SCZZXKLOSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
7493116

> <CAS_REGISTRY_NUMBER>
136470-78-5

> <REAXYS_REGISTRY_NUMBER>
7493116

> <CHEMIDPLUS>
136470-78-5

> <DRUGBANK_ACCESSION>
DB01048

> <KEGG_COMPOUND_ACCESSION>
C07624

> <KEGG_DRUG_ACCESSION>
D07057

> <WIKIPEDIA_ACCESSION>
Abacavir

> <PUBMED_CITATION>
11678376; 11806176; 15887959; 16759112; 18549801; 24751900; 25017682; 25674793; 26024233; 16539393; 12781181; 16458506; 17870541; 18029175; 17172311

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