CHEBI:50692 - mifepristone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mifepristone
ChEBI ID CHEBI:50692
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:40057, CHEBI:6934
Supplier Information
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Formula C29H35NO2
Net Charge 0
Average Mass 429.59374
Monoisotopic Mass 429.267
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
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
Roles Classification
Biological Role(s): hormone antagonist
A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
Application(s): hormone antagonist
A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
contraceptive drug
A chemical substance that prevents or reduces the probability of conception.
synthetic oral contraceptive
An oral contraceptive which owes its effectiveness to synthetic preparation.
abortifacient
A chemical substance that interrupts pregnancy after implantation.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mifepristone (CHEBI:50692) has parent hydride estrane (CHEBI:23966)
mifepristone (CHEBI:50692) has role abortifacient (CHEBI:50691)
mifepristone (CHEBI:50692) has role contraceptive drug (CHEBI:49323)
mifepristone (CHEBI:50692) has role hormone antagonist (CHEBI:49020)
mifepristone (CHEBI:50692) has role synthetic oral contraceptive (CHEBI:49326)
mifepristone (CHEBI:50692) is a 3-oxo-Δ4 steroid (CHEBI:47909)
mifepristone (CHEBI:50692) is a acetylenic compound (CHEBI:73474)
mifepristone (CHEBI:50692) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
11β-[4-(dimethylamino)phenyl]-17β-hydroxy-17α-(prop-1-yn-1-yl)estra-4,9-dien-3-one
INNs Sources
mifepristona ChemIDplus
mifepristone ChemIDplus
mifepristonum ChemIDplus
Synonyms Sources
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 PDBeChem
Mifepristone KEGG COMPOUND
RU-486 KEGG COMPOUND
RU486 DrugBank
Brand Names Sources
Corlux Deprecated term DrugBank
Mifegyne DrugBank
Mifeprex DrugBank
Database Links Databases
1805 DrugCentral
486 PDBeChem
C07652 KEGG COMPOUND
D00585 KEGG DRUG
DB00834 DrugBank
EP57115 Patent
LSM-2822 LINCS
US4386085 Patent
View more database links
Registry Number Type Source
84371-65-3 CAS Registry Number ChemIDplus
Last Modified
04 May 2017