loading...| Preferred Name |
sildenafil citrate |
|
| Synonyms |
5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one 2-hydroxypropane-1,2,3-tricarboxylate sildenafil citrate 1-((3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrate Caverta Revatio Viagra |
|
| Definitions |
The citrate salt of sildenafil. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_58987 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:9892846 Wikipedia:Sildenafil DrugBank:DBSALT000347 KEGG:D02229 CAS:171599-83-0 |
|
| definition |
The citrate salt of sildenafil. |
|
| formula |
C28H38N6O11S |
|
| has part | ||
| has_exact_synonym |
5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one 2-hydroxypropane-1,2,3-tricarboxylate sildenafil citrate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
1-((3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrate Caverta Revatio Viagra |
|
| id |
CHEBI:58987 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H30N6O4S.C6H8O7/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
|
| inchikey |
DEIYFTQMQPDXOT-UHFFFAOYSA-N |
|
| label |
sildenafil citrate |
|
| mass |
666.70000 |
|
| monoisotopicmass |
666.23193 |
|
| notation |
CHEBI:58987 |
|
| prefLabel |
sildenafil citrate |
|
| RO_0000087 | ||
| smiles |
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 |
|
| subClassOf |