ROSE BENGAL SODIUM

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Synonyms
Status
Molecule Category Salt-form
ATC S01JA02
UNII 956575SN5L
EPA CompTox DTXSID4022814

Structure

InChI Key UWBXIFCTIZXXLS-UHFFFAOYSA-L
Smiles O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+]
InChI
InChI=1S/C20H4Cl4I4O5.2Na/c21-10-8(9(20(31)32)11(22)13(24)12(10)23)7-3-1-5(25)16(29)14(27)18(3)33-19-4(7)2-6(26)17(30)15(19)28;;/h1-2,29H,(H,31,32);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H2Cl4I4Na2O5
Molecular Weight 1017.64
AlogP 9.0
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 87.74
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 500 - - -
Transporter Primary active transporter General secretory pathway family
- 500 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 50-50
Mus musculus
- - - - 7-50
Rattus norvegicus
- 19-64 - - -
Staphylococcus aureus
- 500 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2359093
FDA SRS 956575SN5L
PubChem 32343
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