EcoDrugPlus


Synonyms	Iodine (131i) rose bengal sodium Robengatope Robengatope i-131 Robenogatope i-131 Rose bengal (131 i) sodium Rose bengal (131i) sodium Rose bengal sodium (131i) Rose bengal sodium i 131 Rose bengal sodium i-131 Rose bengal sodium, i-131 Rose bengal sodium,i-131 Sodium rose bengal i 131
Status
Molecule Category	Salt-form
UNII	24I7KUI7MK

Synonyms

Iodine (131i) rose bengal sodium

Robengatope

Robengatope i-131

Robenogatope i-131

Rose bengal (131 i) sodium

Rose bengal (131i) sodium

Rose bengal sodium (131i)

Rose bengal sodium i 131

Rose bengal sodium i-131

Rose bengal sodium, i-131

Rose bengal sodium,i-131

Sodium rose bengal i 131

Status

Molecule Category

Salt-form

UNII

24I7KUI7MK


InChI Key	UWBXIFCTIZXXLS-PTZVIXQTSA-L
Smiles	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;;

InChI Key

UWBXIFCTIZXXLS-PTZVIXQTSA-L

Smiles

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;;

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

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

Resources	Reference
ChEMBL	CHEMBL3989461
FDA SRS	24I7KUI7MK

Resources

Reference

ChEMBL

CHEMBL3989461

FDA SRS

24I7KUI7MK

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

ROSE BENGAL SODIUM I 131

Structure

Physicochemical Descriptors

Cross References