ROSE BENGAL SODIUM I 131

Search structure
Synonyms:
Status: Approved (1971)
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key UWBXIFCTIZXXLS-PTZVIXQTSA-L
Smile O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc([131I])c(=O)c(I)c-2oc2c(I)c([O-])c([131I])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/i25+4,26+4;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H2Cl4I4Na2O5
Molecular Weight 1025.64
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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989461
CONTENTS