Preferred Name |
emtricitabine |
|
Synonyms |
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one EMTRICITABINE Emtricitabine (-)-FTC 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one (-)-cis-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one (2R-cis)-4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone (-)-2'-deoxy-5-fluoro-3'-thiacytidine 5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine (-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine (-)-(2R,5S)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine 4-Amino-5-fluoro-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one |
|
Definitions |
An organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_31536 |
|
charge |
0 |
|
database_cross_reference |
Beilstein:5908714 PDBeChem:ETV KEGG:C12599 PMID:22915463 PMID:17526857 PMID:22917277 DrugBank:DB00879 PMID:25017682 PMID:15249567 PMID:23337366 Drug_Central:1003 CAS:143491-57-0 PMID:15977972 PMID:15588339 Patent:US5538975 Wikipedia:Emtricitabine PMID:16323102 Patent:WO9214743 PMID:22935078 KEGG:D01199 PMID:16034488 PMID:16401810 PMID:14609348 PMID:15875341 PMID:23361642 PMID:14693538 PMID:15206508 PMID:19493710 PMID:11491420 |
|
definition |
An organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection. |
|
formula |
C8H10FN3O3S |
|
has role | ||
has_alternative_id |
CHEBI:174911 |
|
has_exact_synonym |
4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one EMTRICITABINE Emtricitabine |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
(-)-FTC 4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one (-)-cis-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one (2R-cis)-4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone (-)-2'-deoxy-5-fluoro-3'-thiacytidine 5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine (-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine (-)-(2R,5S)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine 4-Amino-5-fluoro-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one |
|
id |
CHEBI:31536 |
|
in_subset | ||
inchi |
InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1 |
|
inchikey |
XQSPYNMVSIKCOC-NTSWFWBYSA-N |
|
label |
emtricitabine |
|
mass |
247.24700 |
|
monoisotopicmass |
247.04269 |
|
notation |
CHEBI:31536 |
|
prefLabel |
emtricitabine |
|
smiles |
Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](CO)O1 |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_59793 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_59793 |