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mifepristone

PropertiesImage
MNX_IDMNXM62130 Image of MNXM62130
referencechebi:50692
formulaC29H35NO2
global charge0
mol weight429.604
InChIKeyVKHAHZOOUSRJNA-GCNJZUOMSA-N
InChIInChI=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
SMILESCC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](C3=CC=C(N(C)C)C=C3)C[C@@]21C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM62130
SMILES (mnx)[CH3:1][C:5]#[C:15][C@:29]1([OH:32])[CH2:16][CH2:14][C@H:26]2[C@@H:24]3[CH2:12][CH2:8][C:20]4=[CH:17][C:22](=[O:31])[CH2:11][CH2:13][C:23]4=[C:27]3[C@@H:25]([C:19]3=[CH:7][CH:10]=[C:21]([N:30]([CH3:3])[CH3:4])[CH:9]=[CH:6]3)[CH2:18][C@@:28]21[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50692
chebi:50692
VKHAHZOOUSRJNA-GCNJZUOMSA-N 		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
VKHAHZOOUSRJNA-GCNJZUOMSA-N 		Mifepristone (JAN/USAN/INN)
Korlym (TN)
Mifeprex (TN)
hmdb:HMDB0014972
VKHAHZOOUSRJNA-GCNJZUOMSA-N 		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
Mifegyne
Mifeprex
Mifepriston
Mifepristona
Mifepristone contragest brand
Mifepristone danco brand
Mifepristone exelgyn brand
Mifepristonum
RU-486
RU486

kegg.compound:C07652
keggC:C07652
VKHAHZOOUSRJNA-GCNJZUOMSA-N 		Mifepristone
RU-486

seed.compound:cpd04813
seedM:cpd04813
VKHAHZOOUSRJNA-GCNJZUOMSA-N 		RU-486
Mifepristone

hmdb:HMDB14972
chebi:40057
chebi:6934
keggC:M_C07652
keggD:M_D00585
seedM:M_cpd04813 		secondary/obsolete/fantasy identifier