Iobenguane sulfateProduct ingredient for Iobenguane
- Name
- Iobenguane sulfate
- Drug Entry
- Iobenguane
Synthetic guanethidine derivative that locates phaeochromocytomas and neuroblastomas. The radioisotope used can either be iodine-123 for imaging or iodine-131 for destruction of tissues that metabolize noradrenaline. Iodine 123 is a cyclotron-produced radionuclide that decays to Te 123 by electron capture. Images are produced by a I123 MIBG scintigraphy. FDA approved on September 19, 2008.
- Accession Number
- DBSALT002326
- Structure
Structure for Iobenguane sulfate (DBSALT002326)
- Synonyms
- 3-Iodobenzyl-guanidine sulfate / Iobenguane sulphate / m-Idobenzyl guanidine sulfate / m-Iodobenzyl guanidine sulfate
- UNII
- S8I0922465
- CAS Number
- 87862-25-7
- Weight
- Average: 648.26
Monoisotopic: 647.95126 - Chemical Formula
- C16H22I2N6O4S
- InChI Key
- XNACDNPGABUBFR-UHFFFAOYSA-N
- InChI
- InChI=1S/2C8H10IN3.H2O4S/c2*9-7-3-1-2-6(4-7)5-12-8(10)11;1-5(2,3)4/h2*1-4H,5H2,(H4,10,11,12);(H2,1,2,3,4)
- IUPAC Name
- bis(N-[(3-iodophenyl)methyl]guanidine); sulfuric acid
- SMILES
- OS(O)(=O)=O.NC(=N)NCC1=CC(I)=CC=C1.NC(=N)NCC1=CC(I)=CC=C1
- External Links
- ChemSpider
- 10131820
- ChEMBL
- CHEMBL1374843
- Predicted Properties
Property Value Source Water Solubility 0.1 mg/mL ALOGPS logP 1.42 ALOGPS logP 1.69 Chemaxon logS -3.4 ALOGPS pKa (Strongest Basic) 11.75 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 61.9 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 68.61 m3·mol-1 Chemaxon Polarizability 21.77 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon