rose bengal Report issue

Small molecule Experimental
AACT Drug Central

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Chemistry

Mol. Mass

1017.64

ALogP

9.0

Rule of 5

No

Rule of 3

No
Details
  • SMILES: [Na+].[Na+].[O-]C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c([O-])c(I)cc24)I
  • InChIKey: UWBXIFCTIZXXLS-UHFFFAOYSA-L
    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
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2359093   ChEMBL
rose bengal sodium *

956575SN5L   NCATS
rose bengal sodium *

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