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CHEBI:50692 - mifepristone
| Formula | C29H35NO2 |
| Net Charge | 0 |
| Average Mass | 429.604 |
| Monoisotopic Mass | 429.26678 |
| SMILES | [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(N(C)C)cc1)C1=C3CCC(=O)C=C3CC[C@]12[H] |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | 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. |
| Applications: | 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. synthetic oral contraceptive An oral contraceptive which owes its effectiveness to synthetic preparation. contraceptive drug A chemical substance that prevents or reduces the probability of conception. abortifacient A chemical substance that interrupts pregnancy after implantation. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| mifepristona | ChemIDplus |
| mifepristone | ChemIDplus |
| mifepristonum | ChemIDplus |
| Synonyms | Source |
|---|---|
| 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 | Source |
|---|---|
| Corlux | DrugBank |
| Mifegyne | DrugBank |
| Mifeprex | DrugBank |