Mifepristone

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Systematic / IUPAC Name: (8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

ID: Reference2380

Other Names: Mifegyne;
Corlux;
Mifepriston;
Mifepristonum;
Korlym ; more

Formula: C29H35NO2

Class: Therapeutics/Prescription Drugs

Spectral Data

Mifepristone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 231
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 3/6/2015 8:52:33 AM
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Identificators

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
InChI Key VKHAHZOOUSRJNA-GCNJZUOMSA-N
Canonical SMILES CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
CAS 84371653
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Other Names Mifegyne;
Corlux;
Mifepriston;
Mifepristonum;
Korlym;
Pictovir;
11β-(4-(Dimethylamino)phenyl)-17β-hydroxy-17-(1-propynyl)estra-4,9-dien-3-on;
11β-(p-(Dimethylamino)phenyl)-17β-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one;
11β-(4-(N,N-Dimethylamino)phenyl)-17α-(prop-1-ynyl)-δ4,9-estradiene-17β-ol-3-one;
(11β,17β)-11-(4-(Dimethylamino)-phenyl)-17-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one;
Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(1-propynyl)-, (11b,17b)-;
Mefipil

In Other Databases

Wikipedia Mifepristone
KEGG C07652; D00585
HMDb HMDB14972
ChEMBL CHEMBL1276308
ChEBI CHEBI:50692
PubChem 55245
ChemIDPlus 084371653
DrugBank DB00834
ChemSpider 49889