Iobenguane I 131Product ingredient for Iobenguane
- Name
- Iobenguane I 131
- 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
- DBSALT002472
- Structure
Structure for Iobenguane I 131 (DBSALT002472)
- Synonyms
- I-131 MIBG / Iobenguane (131I) / Iobenguane I-131 / Iobenguane I131
- UNII
- Q461L7AK4R
- CAS Number
- 77679-27-7
- Weight
- Average: 279.095
Monoisotopic: 278.993596502 - Chemical Formula
- C8H10IN3
- InChI Key
- PDWUPXJEEYOOTR-JRGAVVOBSA-N
- InChI
- InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)/i9+4
- IUPAC Name
- N-{[3-(¹³¹I)iodophenyl]methyl}guanidine
- SMILES
- NC(=N)NCC1=CC([131I])=CC=C1
- External Links
- ChemSpider
- 64323
- ChEBI
- 135997
- ChEMBL
- CHEMBL1615779
- ZINC
- ZINC000100521112
- 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 2 Chemaxon Refractivity 68.61 m3·mol-1 Chemaxon Polarizability 21.85 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon