EPRODISATE DISODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII 5X0D9H16IU
EPA CompTox DTXSID9046732

Structure

InChI Key DKGJFKPIUSHDIT-UHFFFAOYSA-L
Smiles O=S(=O)([O-])CCCS(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C3H8O6S2.2Na/c4-10(5,6)2-1-3-11(7,8)9;;/h1-3H2,(H,4,5,6)(H,7,8,9);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Na2O6S2
Molecular Weight 248.19
AlogP -0.85
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 108.74
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 11.0

Cross References

Resources Reference
ChEMBL CHEMBL2107338
FDA SRS 5X0D9H16IU
PubChem 6451143
SureChEMBL SCHEMBL293813
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