loading...| Preferred Name |
abacavir |
|
| Synonyms |
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol Abacavir {(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol ABC abacavir |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_421707 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:18029175 PMID:24751900 PMID:11806176 PMID:16539393 Wikipedia:Abacavir PMID:26024233 PMID:12781181 PMID:25017682 Beilstein:7493116 KEGG:D07057 Reaxys:7493116 PMID:18549801 PMID:17172311 PMID:16759112 PMID:11678376 Drug_Central:34 PMID:17870541 PMID:15887959 KEGG:C07624 PMID:16458506 DrugBank:DB01048 CAS:136470-78-5 PMID:25674793 |
|
| 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. |
|
| formula |
C14H18N6O |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_53756 |
|
| has_alternative_id |
CHEBI:525912 CHEBI:520984 CHEBI:193608 CHEBI:441792 CHEBI:2360 |
|
| has_exact_synonym |
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol Abacavir |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
{(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol ABC abacavir |
|
| has_RxCUI |
190521 |
|
| id |
CHEBI:421707 |
|
| in_subset | ||
| 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 |
|
| label |
abacavir |
|
| mass |
286.339 |
|
| monoisotopicmass |
286.15421 |
|
| notation |
CHEBI:421707 |
|
| prefLabel |
abacavir |
|
| smiles |
C=12N(C=NC1C(NC3CC3)=NC(=N2)N)[C@H]4C=C[C@H](C4)CO |
|
| subClassOf |