Mifepristone

CAS Number: 84371-65-3

Molecular Mass: 429.6 g/mol

Formula: C₂₉H₃₅NO₂

Smiles: CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C

Synonymes:

Mifepristone, mifepristone, 84371-65-3, Mifegyne, Mifeprex, RU-486, Korlym, RU 486, Mifepristona, RU 38486, RU-38486, Mifepristonum, DTXSID5023322, 320T6RNW1F, NSC-759862, DTXCID303322, CHEBI:50692, (8S,11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one, 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, Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-, (11-beta,17-beta)-, ZK98296, NSC652104, R38486, (8S,11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta(a)phenanthren-3-one, 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, RU38486, ZK 98296, RefChem:55643, Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-, (11beta,17beta)-, G03XB01, 11-((4-dimethylamino) phenyl)-17-Hydroxy-17-(1-propynyl) Estra-4,9-dien-3-one, (10S,11S,14S,15S,17R)-17-(4-(dimethylamino)phenyl)-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo(8.7.0.02,7.011,15)heptadeca-1,6-dien-5-one, (aa Beta, 17 beta)-11-(4-(dimethylamino)-phenyl)-17-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one, 11 Beta-(4-(N,N-dimethylamino)phenyl)-17alpha-(propyl-1-ynyl)-delta-4,9-estradiene-17 beta-ol-3-one, Corlux, RU486, Mifepriston, C29H35NO2, (11beta,17beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one, Mifepristone (Standard), MLS000069785, VGX-410C, VGX-410, NCGC00025179-05, SMR000058481, Mifepristonum [Latin], MFCD00867226, Mifepristona [Spanish], (8S,11R,13S,14S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one, (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one, (10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1,6-dien-5-one, (11beta,17beta)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-prop-1-yn-1-ylestra-4,9-dien-3-one, (8S,11R,13S,14S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-6,7,8,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one, RU486 (tetramethyl-rhodamine conjugated), Mifepristone [USAN:INN:BAN], HSDB 6841, SR-01000076011, R 38486, BRN 5779404, UNII-320T6RNW1F, Pictovir, RU 486-6, CCRIS 9332, 1nhz, 11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one, Mifeprex (TN), Pictovir (TM), Prestwick_570, CAS-84371-65-3, Korlym (TN), 2w8y, Mifepristone (Mifeprex), Opera_ID_562, Mifepristone, >=98%, Prestwick0_000299, Prestwick1_000299, Prestwick2_000299, Prestwick3_000299, Spectrum5_002045, MIFEPRISTONE [MI], MIFEPRISTONE [INN], MIFEPRISTONE [JAN], MIFEPRISTONE [HSDB], MIFEPRISTONE [USAN], 11beta-(4-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on, 17-beta-Hydroxy-11-beta-(4-dimethylaminophenyl-1)-17-alpha-(prop-1-ynyl)oestra-4,9-dien-3-one, MIFEPRISTONE [VANDF], BIDD:PXR0123, Lopac0_000801, SCHEMBL16087, BSPBio_000238, MIFEPRISTONE [MART.], 11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-21-methyl-19-nor-17alpha-pregna-4,9-dien-20-m-3-on, 11beta-(4-(N,N-Dimethylamino)phenyl)-17alpha-(prop-1-ynyl)-delta4,9-estradiene-17beta-ol-3-one, MLS001074115, MLS001424271, MIFEPRISTONE [USP-RS], MIFEPRISTONE [WHO-DD], SPBio_002457, RU-486, MIFEPRISTONE, BPBio1_000262, CHEMBL438575, GTPL2805, Mifepristone (JAN/USAN/INN), orb3032958, CHEMBL1276308, BDBM18627, MSK8539, GLXC-05981, HMS1568L20, HMS2052L05, HMS2090L22, HMS2095L20, HMS2230P21, HMS3262B03, HMS3412D17, HMS3649J08, HMS3676D17, HMS3712L20, HMS3884D12, MIFEPRISTONE [ORANGE BOOK], ALBB-038643, Tox21_110952, Tox21_301841, Tox21_500801, BDBM50072024, EBC-06067, HB2783, HSCI1_000369, HY-13683R, MSK8539-100A, s2606, VX-410, AKOS015895416, MSK8539-1000A, Tox21_110952_1, CCG-101164, CI-1073, CS-1435, DB00834, FM26002, LP00801, NC00414, NSC 759862, SDCCGSBI-0050778.P002, Mifepristone 1.0 mg/ml in Acetonitrile, NCGC00025179-06, NCGC00025179-07, NCGC00025179-08, NCGC00025179-09, NCGC00025179-12, NCGC00025179-13, NCGC00025179-23, NCGC00179632-01, NCGC00255152-01, NCGC00261486-01, (11beta,17beta)-11-(4-(Dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one, (1S,3aS,3bS,10R,11aS)-10-[4-(dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(prop-1-yn-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-one, AS-13938, CPD000058481, HY-13683, RU486, C-1073, SY077658, CS-0694789, EU-0100801, A11615, C-1073, C07652, D00585, EN300-117256, M 8046, Mifepristone Solution in Acetonitrile, 100ug/mL, F795098, Mifepristone Solution in Acetonitrile, 1000ug/mL, Q411240, SR-01000721888, SR-01000076011-1, SR-01000076011-3, SR-01000076011-5, SR-01000076011-9, SR-01000721888-4, BRD-K37270826-001-04-5, BRD-K37270826-001-26-8, BRD-K37270826-001-27-6, BRD-K37270826-001-31-8, Z1501480424, Mifepristone, United States Pharmacopeia (USP) Reference Standard, 11.beta.-[4-(Dimethylamino)phenyl]-17.beta.-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one, 11b-(4-Dimethyl-amino)-phenyl-17b-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one, 11beta-(4-Dimethylamino)phenyl-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one, 11ss-[p-(Dimethylamino)fenyl]-17ss-hydroxy- 17-(1-propynyl)estra-4,9-dien-3-on, (11|_,17|_)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one, (11|A,17|A)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one, (11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one, (1S,3aS,3bS,10R,11aS)-10-[4-(Dimethylamino)phenyl]-1-hydroxy-11a-methyl-1-(prop-1-yn-1-yl)-1,2,3,3a,3b,4,5,8,9,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one, 122742-25-0, 17beta-Hydroxy-11beta-[4-(dimethylamino)-phenyl]-17alpha-(prop-1-ynyl)-estra-4,9-dien-3-one, 83203-42-3, Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)-, (11.beta.,17.beta.)-, Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)-, (11beta,17beta)-, Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(1-propynyl)-, (11b,17b)-

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	273.15	-	0.8225	[381]
1-Butanol	278.15	-	1.014	[381]
1-Butanol	283.15	-	1.251	[381]
1-Butanol	288.15	-	1.566	[381]
1-Butanol	293.15	-	1.934	[381]
1-Butanol	298.15	-	2.346	[381]
1-Butanol	303.15	-	2.847	[381]
1-Butanol	308.15	-	3.394	[381]
1-Butanol	313.15	-	4.032	[381]
1-Butanol	318.15	-	4.724	[381]
1-Propanol	273.15	-	0.8091	[381]
1-Propanol	278.15	-	0.951	[381]
1-Propanol	283.15	-	1.115	[381]
1-Propanol	288.15	-	1.305	[381]
1-Propanol	293.15	-	1.528	[381]
1-Propanol	298.15	-	1.77	[381]
1-Propanol	303.15	-	2.06	[381]
1-Propanol	308.15	-	2.423	[381]
1-Propanol	313.15	-	2.81	[381]
1-Propanol	318.15	-	3.261	[381]
Acetone	273.15	-	0.8967	[381]
Acetone	278.15	-	1.099	[381]
Acetone	283.15	-	1.353	[381]
Acetone	288.15	-	1.656	[381]
Acetone	293.15	-	2.017	[381]
Acetone	298.15	-	2.451	[381]
Acetone	303.15	-	2.975	[381]
Acetone	308.15	-	3.595	[381]
Acetone	313.15	-	4.329	[381]
Acetone	318.15	-	5.197	[381]
Ethanol	273.15	-	0.9182	[381]
Ethanol	278.15	-	1.093	[381]
Ethanol	283.15	-	1.294	[381]
Ethanol	288.15	-	1.524	[381]
Ethanol	293.15	-	1.797	[381]
Ethanol	298.15	-	2.117	[381]
Ethanol	303.15	-	2.484	[381]
Ethanol	308.15	-	2.904	[381]
Ethanol	313.15	-	3.4	[381]
Ethanol	318.15	-	3.954	[381]
Ethyl acetate	273.15	-	0.4647	[381]
Ethyl acetate	278.15	-	0.5599	[381]
Ethyl acetate	283.15	-	0.6767	[381]
Ethyl acetate	288.15	-	0.8134	[381]
Ethyl acetate	293.15	-	0.9793	[381]
Ethyl acetate	298.15	-	1.18	[381]
Ethyl acetate	303.15	-	1.408	[381]
Ethyl acetate	308.15	-	1.687	[381]
Ethyl acetate	313.15	-	2.012	[381]
Ethyl acetate	318.15	-	2.397	[381]
Isopropanol	273.15	-	0.4093	[381]
Isopropanol	278.15	-	0.6224	[381]
Isopropanol	283.15	-	0.9314	[381]
Isopropanol	288.15	-	1.378	[381]
Isopropanol	293.15	-	2.011	[381]
Isopropanol	298.15	-	2.894	[381]
Isopropanol	303.15	-	4.11	[381]
Isopropanol	308.15	-	5.806	[381]
Isopropanol	313.15	-	8.029	[381]
Isopropanol	318.15	-	11.05	[381]
Methanol	273.15	-	4.835	[381]
Methanol	278.15	-	6.27	[381]
Methanol	283.15	-	8.119	[381]
Methanol	288.15	-	10.49	[381]
Methanol	293.15	-	13.59	[381]
Methanol	298.15	-	17.32	[381]
Methanol	303.15	-	22.1	[381]
Methanol	308.15	-	27.78	[381]
Methanol	313.15	-	34.59	[381]
Methanol	318.15	-	42.77	[381]
Tetrahydrofuran	273.15	-	0.2797	[381]
Tetrahydrofuran	278.15	-	0.32	[381]
Tetrahydrofuran	283.15	-	0.3722	[381]
Tetrahydrofuran	288.15	-	0.4285	[381]
Tetrahydrofuran	293.15	-	0.492	[381]
Tetrahydrofuran	298.15	-	0.5623	[381]
Tetrahydrofuran	303.15	-	0.6424	[381]
Tetrahydrofuran	308.15	-	0.737	[381]
Tetrahydrofuran	313.15	-	0.8406	[381]
Tetrahydrofuran	318.15	-	0.9632	[381]

Molecule 3D descriptors

Descriptor	Value
PMI1	3482.1373
PMI2	5076.4167
PMI3	6823.1084
NPR1	0.5103
NPR2	0.7440
RadiusOfGyration	4.2311
InertialShapeFactor	0.0002
Eccentricity	0.8600
Asphericity	0.1416
SpherocityIndex	0.4776
PBF	1.4957