AURICLOSENE MONOSODIUM MONOHYDRATE

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Synonyms
Status
Molecule Category Salt-form
UNII 4787JWS9HN

Structure

InChI Key DZYCRLINOCERBD-UHFFFAOYSA-M
Smiles CC(C)(CS(=O)(=O)[O-])N(Cl)Cl.O.[Na+]
InChI
InChI=1S/C4H9Cl2NO3S.Na.H2O/c1-4(2,7(5)6)3-11(8,9)10;;/h3H2,1-2H3,(H,8,9,10);;1H2/q;+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10Cl2NNaO4S
Molecular Weight 262.09
AlogP 1.26
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 57.61
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 11.0

Cross References

Resources Reference
ChEMBL CHEMBL4297434
FDA SRS 4787JWS9HN
PubChem 76964366
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