PRADIGASTAT SODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII X0EWE8TT2H

Structure

InChI Key MUZRGKSNUTWRAF-BHQIMSFRSA-M
Smiles O=C([O-])C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1.[Na+]
InChI
InChI=1S/C25H24F3N3O2.Na/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33;/h5-12,14-17,31H,1-4,13H2,(H,32,33);/q;+1/p-1/t16-,17-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H23F3N3NaO2
Molecular Weight 477.46
AlogP 6.65
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 75.11
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 33.0

Cross References

Resources Reference
ChEMBL CHEMBL2364625
FDA SRS X0EWE8TT2H
PubChem 53387034
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