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 |
PMID:25534735 CAS:1132935-63-7 Drug_Central:4914 PMID:25646891 PMID:25665437 Reaxys:19076087 KEGG:D10553 PMID:25680759 PMID:25674658 PMID:25365973 Wikipedia:Dasabuvir PMID:25582226 PMID:25706092 |
|
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 |
|
has_RxCUI |
1597381 |
|
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 |
|
prefixIRI |
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 |
|
textual 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. |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35358 http://purl.obolibrary.org/obo/CHEBI_35618 |