loading...| Preferred Name |
riociguat |
|
| Synonyms |
methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamate riociguatum BAY 63-2521 Methyl N-(4,6-diamino-2-{1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl}pyrimidin-5-yl)-N-methylcarbamate Adempas riociguat |
|
| Definitions |
A carbamate ester that is the methyl ester of {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamic acid. It is used for treatment of chronic thromboembolic pulmonary hypertension and pulmonary arterial hypertension |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_76018 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D09572 PMID:23883377 PMID:23883378 PMID:23397304 Wikipedia:Riociguat PMID:21789188 CAS:625115-55-1 PMID:23978639 Patent:US2009286781 PMID:20801938 PMID:22912874 PMID:23963798 PMID:24015306 PMID:24092345 PMID:19129292 Patent:WO2011147810 PMID:23883383 PMID:20424448 PMID:23775260 Reaxys:12581953 PMID:22900035 Patent:WO2007009607 PMID:23204120 PMID:23939482 PMID:22936711 PMID:20956169 PMID:23997053 PMID:23997048 PMCID:PMC3363218 PMID:21391889 PMID:22719060 Drug_Central:4807 |
|
| definition |
A carbamate ester that is the methyl ester of {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamic acid. It is used for treatment of chronic thromboembolic pulmonary hypertension and pulmonary arterial hypertension |
|
| formula |
C20H19FN8O2 |
|
| has_exact_synonym |
methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
riociguatum BAY 63-2521 Methyl N-(4,6-diamino-2-{1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl}pyrimidin-5-yl)-N-methylcarbamate Adempas riociguat |
|
| id |
CHEBI:76018 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26) |
|
| inchikey |
WXXSNCNJFUAIDG-UHFFFAOYSA-N |
|
| label |
riociguat |
|
| mass |
422.41570 |
|
| monoisotopicmass |
422.16150 |
|
| notation |
CHEBI:76018 |
|
| prefLabel |
riociguat |
|
| RO_0000087 | ||
| smiles |
COC(=O)N(C)c1c(N)nc(nc1N)-c1nn(Cc2ccccc2F)c2ncccc12 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37143 http://purl.obolibrary.org/obo/CHEBI_46699 |