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Chemical structure of Mifepristone

GC11637

Mifepristone

Also known as (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

Mifepristone (RU486) is an orally effective progesterone (PR) receptor and glucocorticoid receptor (GR) antagonist used as an abortion drug with in vitro IC50 values of 0·2nM and 2·6nM, respectively

ChemicalCAS84371-65-3MW429.59FormulaC29H35NO2
CAS number
84371-65-3
Molecular weight
429.59
Formula
C29H35NO2
Solubility
≥ 21·4795 mg/mL in DMSO, ≥ 21·45 mg/mL in EtOH with gentle warming
InChIKey
VKHAHZOOUSRJNA-GCNJZUOMSA-N
Catalogue number
GC11637
Brand
GLPBIO
Computed properties PubChem CID 55245 · XLogP 3.8 · TPSA 40.5 Ų · H-bond donors 1
XLogP
3.8
TPSA
40.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
32

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

Computed descriptors from PubChem (CID 55245), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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