Preferred Name |
mifepristone |
|
Synonyms |
Mifepristone 11beta-[4-(dimethylamino)phenyl]-17beta-hydroxy-17alpha-(prop-1-yn-1-yl)estra-4,9-dien-3-one Mifeprex Mifegyne 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE mifepristona RU486 mifepristonum mifepristone RU-486 |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_50692 |
|
charge |
0 |
|
database_cross_reference |
PDBeChem:486 CAS:84371-65-3 KEGG:C07652 LINCS:LSM-2822 DrugBank:DB00834 Patent:US4386085 Patent:EP57115 Drug_Central:1805 KEGG:D00585 |
|
formula |
C29H35NO2 |
|
has parent hydride | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_49020 http://purl.obolibrary.org/obo/CHEBI_49323 |
|
has_alternative_id |
CHEBI:6934 CHEBI:40057 |
|
has_exact_synonym |
Mifepristone 11beta-[4-(dimethylamino)phenyl]-17beta-hydroxy-17alpha-(prop-1-yn-1-yl)estra-4,9-dien-3-one |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Mifeprex Mifegyne 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE mifepristona RU486 mifepristonum mifepristone RU-486 |
|
id |
CHEBI:50692 |
|
in_subset | ||
inchi |
InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1 |
|
inchikey |
VKHAHZOOUSRJNA-GCNJZUOMSA-N |
|
label |
mifepristone |
|
mass |
429.59374 |
|
monoisotopicmass |
429.26678 |
|
notation |
CHEBI:50692 |
|
prefLabel |
mifepristone |
|
smiles |
[H][C@@]12CCC3=CC(=O)CCC3=C1[C@H](C[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#CC)c1ccc(cc1)N(C)C |
|
treeView |
http://purl.obolibrary.org/obo/CHEBI_73474 |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_73474 |