loading...| 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 |