Iofetamine hydrochloride I-123Product ingredient for Iofetamine I-123
- Name
- Iofetamine hydrochloride I-123
- Drug Entry
- Iofetamine I-123
- Accession Number
- DBSALT002537
- Structure
Structure for Iofetamine hydrochloride I-123 (DBSALT002537)
- Synonyms
- Iofetamine (123 I) HCl / Iofetamine (123 I) hydrochloride / Iofetamine hydrochloride I 123 / Iofetamine hydrochloride, I-123 / Iofetamine I 123 hydrochloride
- UNII
- R5O1XB5L3M
- CAS Number
- 85068-76-4
- Weight
- Average: 335.65
Monoisotopic: 335.0262003 - Chemical Formula
- C12H19ClIN
- InChI Key
- AFLDFEASYWNJGX-FOHXBPHZSA-N
- InChI
- InChI=1S/C12H18IN.ClH/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11;/h4-7,9-10,14H,8H2,1-3H3;1H/i13-4;
- IUPAC Name
- {1-[4-(¹²³I)iodophenyl]propan-2-yl}(propan-2-yl)amine hydrochloride
- SMILES
- Cl.CC(C)NC(C)CC1=CC=C([123I])C=C1
- External Links
- ChemSpider
- 392031
- ChEMBL
- CHEMBL1200360
- Wikipedia
- Iofetamine_(123I)
- Predicted Properties
Property Value Source Water Solubility 0.00511 mg/mL ALOGPS logP 3.58 ALOGPS logP 3.94 Chemaxon logS -4.8 ALOGPS pKa (Strongest Basic) 10.35 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 12.03 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 71.01 m3·mol-1 Chemaxon Polarizability 27.78 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon