loading...| Preferred Name |
dasabuvir |
|
| Synonyms |
N-{6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide ABT 333 dasabuvir |
|
| Definitions |
A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_85182 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:19076087 KEGG:D10553 PMID:25365973 CAS:1132935-63-7 PMID:25680759 PMID:25706092 PMID:25582226 Wikipedia:Dasabuvir PMID:25665437 PMID:25674658 PMID:25534735 PMID:25646891 Drug_Central:4914 |
|
| definition |
A member of the class of pyrimidone, which is (as the monohydrate of its sodium salt) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. |
|
| formula |
C26H27N3O5S |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
N-{6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
ABT 333 dasabuvir |
|
| id |
CHEBI:85182 |
|
| in_subset | ||
| inchi |
InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31) |
|
| inchikey |
NBRBXGKOEOGLOI-UHFFFAOYSA-N |
|
| label |
dasabuvir |
|
| mass |
493.577 |
|
| monoisotopicmass |
493.16714 |
|
| notation |
CHEBI:85182 |
|
| prefLabel |
dasabuvir |
|
| smiles |
C1=C(C=C2C(=C1)C=C(C=C2)C3=CC(=CC(=C3OC)C(C)(C)C)N4C=CC(NC4=O)=O)NS(C)(=O)=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35358 http://purl.obolibrary.org/obo/CHEBI_35618 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35358 http://purl.obolibrary.org/obo/CHEBI_35618 |