TRIMEGESTONE

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Synonyms
Status
Molecule Category Free-form
UNII 4658K0H08W

Structure

InChI Key JUNDJWOLDSCTFK-MTZCLOFQSA-N
Smiles C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C
InChI
InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30O3
Molecular Weight 342.48
AlogP 4.15
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 54.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Related Entries

Cross References

Resources Reference
ChEBI 136027
ChEMBL CHEMBL2104765
DrugBank DB13129
DrugCentral 4736
FDA SRS 4658K0H08W
PubChem 68926
SureChEMBL SCHEMBL518768
ZINC ZINC000004217604
CONTENTS