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Compound Summary

mifepristone

Compound Information

mifepristone

Compound Name:	mifepristone
Compound CID:	55245
Synonyms:	mifepristone 84371-65-3 Mifegyne Mifeprex RU-486 More...
Iupac Name:	(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
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
Canonical Smiles:	CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
Isomeric Smiles:	CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O
Molecular Weight:	429.6
Molecular Formula:	C29H35NO2

Compound Structure

2D Structure:

3D Structure:

Computed Properties

mifepristone

Molecular Weight:	429.6
Molecular Formula:	C29H35NO2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Heavy Atom Count:	32
Complexity:	921

Synonyms

mifepristone

mifepristone	mifepristone
mifepristone	84371-65-3
Mifegyne	Mifeprex
RU-486	Corlux
Korlym	RU486
RU 486	RU 38486
Mifepriston	RU-38486
UNII-320T6RNW1F	MLS000069785
320T6RNW1F	VGX-410C
CHEBI:50692	VGX-410
NCGC00025179-05	SMR000058481
Mifepristonum Latin	Mifepristona Spanish
DSSTox_CID_3322	C-1073
DSSTox_RID_76976	DSSTox_GSID_23322
(11beta,17beta)-11-4-(Dimethylamino)phenyl-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one	(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-cyclopentaaphenanthren-3-one
(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-decahydrocyclopentaaphenanthren-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-decahydrocyclopentaaphenanthren-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-CYCLOPENTAAPHENANTHREN-3-ONE	Mifepristona
Mifepristonum	(11beta,17beta)-11-4-(dimethylamino)phenyl-17-hydroxy-17-prop-1-yn-1-ylestra-4,9-dien-3-one
RU486 (tetramethyl-rhodamine conjugated)	Mifepristone USAN:INN:BAN
HSDB 6841	SR-01000076011
R 38486	BRN 5779404
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	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	BIDD:PXR0123
Lopac0_000801	SCHEMBL16087
BSPBio_000238	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	(non-labelled)Mifepristone-d3
ARONIS27015	SPBio_002457
RU-486; MIFEPRISTONE	BPBio1_000262
CHEMBL438575	GTPL2805
Mifepristone (JAN/USAN/INN)	CHEMBL1276308
DTXSID5023322	BDBM18627
AOB6893	HMS1568L20
HMS2052L05	HMS2090L22
HMS2095L20	HMS2230P21
HMS3262B03	HMS3412D17
HMS3649J08	HMS3676D17
HMS3712L20	HMS3884D12
ACT02598	BCP02145
ZINC3831128	Tox21_110952
Tox21_301841	Tox21_500801
BDBM50072024	HSCI1_000369
MFCD00867226	s2606
VX-410	AKOS015895416
Tox21_110952_1	CCG-101164
CI-1073	CS-1435
DB00834	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	(11beta,17beta)-11-(4-(Dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
AS-13938	CPD000058481
Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(1-propynyl)-, (11-beta,17-beta)-	HY-13683
RU486;C-1073	EU-0100801
C07652	D00585
M 8046	29523-EP2272827A1
29523-EP2275420A1	29523-EP2295055A2
29523-EP2295416A2	29523-EP2298748A2
29523-EP2298764A1	29523-EP2298765A1
29523-EP2305642A2	29523-EP2308880A1
29523-EP2311453A1	29523-EP2311808A1
29523-EP2311829A1	29523-EP2311842A2
75603-EP2269977A2	75603-EP2308880A1
371M653	A840767
Q411240	SR-01000721888
Q-201405	SR-01000076011-1
SR-01000076011-3	SR-01000076011-5
SR-01000076011-9	SR-01000721888-4
BRD-K37270826-001-04-5	BRD-K37270826-001-31-8
Mifepristone, United States Pharmacopeia (USP) Reference Standard	(11?,17?)-11-4-(Dimethylamino)phenyl-17-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one
11.beta.-4-(Dimethylamino)phenyl-17.beta.-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one	11beta-(4-Dimethyl-amino)-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	(10S,11S,14S,15S,17R)-17-4-(dimethylamino)phenyl-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo8.7.0.0;{2,7}.0;{11,15}heptadeca-1,6-dien-5-one
(10S,11S,14S,15S,17R)-17-4-(dimethylamino)phenyl-14-hydroxy-15-methyl-14-(prop-1-yn-1-yl)tetracyclo8.7.0.0^{2,7}.0^{11,15}heptadeca-1,6-dien-5-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-cyclopentaaphenanthren-3-one
(8S,11R,13S,14S,17S)-11-4-(dimethylamino)phenyl-13-methyl-17-oxidanyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopentaaphenanthren-3-one	122742-25-0
83203-42-3	Estra-4,9-dien-3-one, 11-4-(dimethylamino)phenyl-17-hydroxy-17-(1-propynyl)-, (11b,17b)-

Experimental Data

mifepristone

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	33.000000000000000	umol/L			-5.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

mifepristone

Statistics Data

mifepristone

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	-5.000000000000000		1	1

Statistics Data Visualization

mifepristone

Compound Name:

mifepristone

Compound CID:

55245

Synonyms:

mifepristone 84371-65-3 Mifegyne Mifeprex RU-486 More...

Iupac Name:

(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

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

Canonical Smiles:

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O

Isomeric Smiles:

CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O

Molecular Weight:

429.6

Molecular Formula:

C29H35NO2

Molecular Weight:

429.6

Molecular Formula:

C29H35NO2

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

3

Rotatable Bond Count:

3

Heavy Atom Count:

32

Complexity:

921

mifepristone

84371-65-3

Mifegyne

Mifeprex

RU-486

Corlux

Korlym

RU486

RU 486

RU 38486

Mifepriston

RU-38486

UNII-320T6RNW1F

MLS000069785

320T6RNW1F

VGX-410C

CHEBI:50692

VGX-410

NCGC00025179-05

SMR000058481

Mifepristonum Latin

Mifepristona Spanish

DSSTox_CID_3322

C-1073

DSSTox_RID_76976

DSSTox_GSID_23322

(11beta,17beta)-11-4-(Dimethylamino)phenyl-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one

(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-cyclopentaaphenanthren-3-one

(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-decahydrocyclopentaaphenanthren-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-decahydrocyclopentaaphenanthren-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-CYCLOPENTAAPHENANTHREN-3-ONE

Mifepristona

Mifepristonum

(11beta,17beta)-11-4-(dimethylamino)phenyl-17-hydroxy-17-prop-1-yn-1-ylestra-4,9-dien-3-one

RU486 (tetramethyl-rhodamine conjugated)

Mifepristone USAN:INN:BAN

HSDB 6841

SR-01000076011

R 38486

BRN 5779404

Pictovir

RU 486-6

CCRIS 9332

1nhz

11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one

Mifeprex (TN)

mifepristone

84371-65-3

Mifegyne

Mifeprex

RU-486

More...