Preferred Name |
sofosbuvir |
|
Synonyms |
isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate PSI 7977 Sovaldi GS-7977 PSI-7977 GI 7977 |
|
Definitions |
A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_85083 |
|
charge |
0 |
|
database_cross_reference |
PMID:25322962 PMID:25261839 PMID:25619265 KEGG:D10366 Reaxys:20867484 PMID:25641426 PMID:25614962 Wikipedia:Sofosbuvir Drug_Central:4811 PMID:25674516 PMID:25159822 PMID:25676703 PMID:25645644 PMID:25622055 PMID:25621961 PMID:25304641 PMID:25583164 PMID:25659285 PMID:25123381 PMID:25708155 PMID:25601269 CAS:1190307-88-0 |
|
definition |
A nucleotide conjugate that is used in combination with ledipasvir (under the trade name Harvoni) for the treatment of chronic hepatitis C genotype 1 infection. |
|
formula |
C22H29FN3O9P |
|
has functional parent | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_64924 |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
isopropyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate PSI 7977 Sovaldi GS-7977 PSI-7977 GI 7977 |
|
id |
CHEBI:85083 |
|
in_subset | ||
inchi |
InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1 |
|
inchikey |
TTZHDVOVKQGIBA-IQWMDFIBSA-N |
|
label |
sofosbuvir |
|
mass |
529.45250 |
|
monoisotopicmass |
529.16254 |
|
notation |
CHEBI:85083 |
|
prefLabel |
sofosbuvir |
|
smiles |
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_61164 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_35725 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_61164 http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_35725 |