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mifepristone

Properties

Image

Occurences in reactions

MNX_ID

MNXM62130

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₉H₃₅NO₂

charge

mass

429.26678

reference

chebi:50692

InChIKey

VKHAHZOOUSRJNA-GCNJZUOMSA-N

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

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50692 chebi:50692	mifepristone 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 11beta-[4-(dimethylamino)phenyl]-17beta-hydroxy-17alpha-(prop-1-yn-1-yl)estra-4,9-dien-3-one Mifegyne Mifeprex Mifepristone RU-486 RU486 mifepristona mifepristonum
kegg.drug:D00585 keggD:D00585	Mifepristone (JAN/USAN/INN) Korlym (TN) Mifeprex (TN)
hmdb:HMDB0014972	Mifepristone (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 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 Contragest brand OF mifepristone Corlux Danco brand OF mifepristone Exelgyn brand OF mifepristone Korlym Mifégyne Mifegyne Mifeprex Mifepriston Mifepristona Mifepristone contragest brand Mifepristone danco brand Mifepristone exelgyn brand Mifepristonum RU-486 RU486
kegg.compound:C07652 keggC:C07652	Mifepristone RU-486
seed.compound:cpd04813 seedM:cpd04813	RU-486 Mifepristone
hmdb:HMDB14972 chebi:40057 chebi:6934 keggC:M_C07652 keggD:M_D00585 seedM:M_cpd04813	secondary/obsolete/fantasy identifier