OGLUFANIDE DISODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII Q60AU1LLNU
EPA CompTox DTXSID50178369

Structure

InChI Key GDLPAGOVHZLZEK-JBUFHSOLSA-L
Smiles N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C16H19N3O5.2Na/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12;;/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24);;/q;2*+1/p-2/t11-,13-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17N3Na2O5
Molecular Weight 377.31
AlogP 0.47
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 145.51
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 24.0

Cross References

Resources Reference
ChEMBL CHEMBL2107123
FDA SRS Q60AU1LLNU
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