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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: | abortifacient A chemical substance that interrupts pregnancy after implantation. synthetic oral contraceptive An oral contraceptive which owes its effectiveness to synthetic preparation. 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. |
| 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 |
|---|---|
| mifepristone | ChemIDplus |
| mifepristona | ChemIDplus |
| mifepristonum | ChemIDplus |
| Synonyms | Source |
|---|---|
| Mifepristone | KEGG COMPOUND |
| RU-486 | KEGG COMPOUND |
| 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 |
| RU486 | DrugBank |
| Brand Names | Source |
|---|---|
| Mifegyne | DrugBank |
| Mifeprex | DrugBank |
| Corlux | DrugBank |