LOTEPREDNOL

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Synonyms
Status
Molecule Category Free-form
ATC S01BA14
UNII I3T12NR296
EPA CompTox DTXSID50191356

Structure

InChI Key MCKJPJYRCPANCC-XLXYOEISSA-N
Smiles C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)O
InChI
InChI=1S/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26O5
Molecular Weight 346.42
AlogP 2.08
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 94.83
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 25.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1201389
FDA SRS I3T12NR296
PubChem 9865442
SureChEMBL SCHEMBL1685771
ZINC ZINC000004081855
CONTENTS