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Chemical structure of RU 42698 - Mifepristone, Hydroxy-

GB40353

RU 42698 - Mifepristone, Hydroxy-

Also known as (8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Metabolite of Mifepristone ; a useful tool in researching mifepristone action

ChemicalCAS105012-15-5MW445.59FormulaC29H35NO3
CAS number
105012-15-5
Molecular weight
445.59
Formula
C29H35NO3
InChIKey
ULLTWLWXPJPTQG-QYQUYBGJSA-N
Catalogue number
GB40353
Brand
GLPBIO
Computed properties PubChem CID 128734 · XLogP 2.5 · TPSA 60.8 Ų · H-bond donors 2
XLogP
2.5
TPSA
60.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
33

SMILES C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(C#CCO)O)C5=CC=C(C=C5)N(C)C

Computed descriptors from PubChem (CID 128734), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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