Indigotindisulfonate sodiumProduct ingredient for Indigotindisulfonic acid
- Name
- Indigotindisulfonate sodium
- Drug Entry
- Indigotindisulfonic acid
Indigotindisulfonic acid is a blue-colored dye with a variety of uses.2,3,4,12 Its salt form, indigotindisulfonate sodium, is also known as indigo carmine, indigotine or FD&C Blue #2. This compound is an acid-base indicator and is used in the production of food colorants and pH tests.7 Indigotindisulfonic acid is used in clinical medicine to determine patency of the urinary collecting system, and to assist in specific surgical procedures such as cystourethroscopy.2,3,4 In 2022, the FDA approved the intravenous use of indigotindisulfonate sodium to aid in visualizing ureter integrity in cystoscopic assessments.10
- Accession Number
- DBSALT001752
- Structure
Structure for Indigotindisulfonate sodium (DBSALT001752)
- Synonyms
- Indigo carmine / Indigocarmine
- External IDs
- FD&C Blue No.2
- UNII
- D3741U8K7L
- CAS Number
- 860-22-0
- Weight
- Average: 466.35
Monoisotopic: 465.95174613 - Chemical Formula
- C16H8N2Na2O8S2
- InChI Key
- KHLVKKOJDHCJMG-QDBORUFSSA-L
- InChI
- InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;;
- IUPAC Name
- disodium (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5'-disulfonate
- SMILES
- [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C2N\C(C(=O)C2=C1)=C1\NC2=C(C=C(C=C2)S([O-])(=O)=O)C1=O
- External Links
- ChemSpider
- 4447431
- ChEBI
- 31695
- ChEMBL
- CHEMBL2105023
- Predicted Properties
Property Value Source Water Solubility 0.187 mg/mL ALOGPS logP 1.49 ALOGPS logP 1.01 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) -2.8 Chemaxon pKa (Strongest Basic) -7.7 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 172.6 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 99.04 m3·mol-1 Chemaxon Polarizability 39.04 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon