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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | abacavir sulfate | |
| Synonyms |
bis({(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol) sulfate Abacavir sulfate |
|
| Definitions |
An azaheterocycle sulfate salt that is the sulfate salt of the HIV-1 reverse transcriptase inhibitor abacavir. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2361 |
|
| charge |
0
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| database_cross_reference |
KEGG:D00891 PMID:11366289 Patent:JP2010189419 PMID:11082806 PMID:23264939 PMID:20575592 PMID:24751900 Patent:AU2003242983 PMID:17541065 CAS:188062-50-2 Patent:WO2004089952 PMID:21648134
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|
| definition |
An azaheterocycle sulfate salt that is the sulfate salt of the HIV-1 reverse transcriptase inhibitor abacavir.
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|
| formula |
2C14H18N6O.H2O4S
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| has functional parent | ||
| has_exact_synonym |
bis({(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol) sulfate Abacavir sulfate
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|
| has_obo_namespace |
chebi_ontology
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|
| id |
CHEBI:2361
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|
| in_subset | ||
| inchi |
InChI=1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3,4)/t2*8-,10+;/m11./s1
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|
| inchikey |
WMHSRBZIJNQHKT-FFKFEZPRSA-N
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|
| label |
abacavir sulfate
|
|
| mass |
670.74460
|
|
| monoisotopicmass |
670.27580
|
|
| notation |
CHEBI:2361
|
|
| prefLabel |
abacavir sulfate
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|
| smiles |
OS(O)(=O)=O.Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1.Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1
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| treeView | ||
| subClassOf |
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