Iobenguane (131I)

Base Information

Chemical Name:Iobenguane (131I)
CAS No.:77679-27-7
Molecular Formula:C₈H₁₀IN₃
Molecular Weight:279.188
Hs Code.:
UNII:Q461L7AK4R
DSSTox Substance ID:DTXSID30228311
Nikkaji Number:J247.955I
Wikipedia:Iobenguane
Wikidata:Q27286979
NCI Thesaurus Code:C970
RXCUI:2053281
Pharos Ligand ID:V762KN17WR7R
ChEMBL ID:CHEMBL1615779
Mol file:77679-27-7.mol

Synonyms:(3-Iodo-(131I)benzyl)guanidine;123I Labeled 3-Iodobenzylguanidine;125I Labeled 3-Iodobenzylguanidine;3 Iodobenzylguanidine;3 Iodobenzylguanidine, 123I Labeled;3 Iodobenzylguanidine, 125I Labeled;3-Iodobenzylguanidine;3-Iodobenzylguanidine, 123I Labeled;3-Iodobenzylguanidine, 125I Labeled;Iobenguane;Iobenguane (131I);m Iodobenzylguanidine;m-Iodobenzylguanidine;meta Iodobenzylguanidine;meta-Iodobenzylguanidine;MIBG

Suppliers and Price of Iobenguane (131I)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of Iobenguane (131I)

Chemical Property:

PSA：61.90000
Density:1.85g/cm³
LogP:2.46520
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:278.993599
Heavy Atom Count:12
Complexity:166

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)I)CN=C(N)N
Isomeric SMILES:C1=CC(=CC(=C1)[131I])CN=C(N)N
Recent ClinicalTrials:A Study of Therapeutic Iobenguane (131-I) and Vorinostat for Recurrent or Progressive High-Risk Neuroblastoma Subjects
Recent EU Clinical Trials:A Phase I study of 131-1 mIBG followed by Nivolumab and Dinutuximab beta in children with relapsed/refractory neuroblastoma

Technology Process of Iobenguane (131I)

There total 10 articles about Iobenguane (131I) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 87862-25-7,103346-16-3
meta-Iodobenzylguanidinium sulfate

: 77679-27-7
[¹³¹I]-meta-iodobenzylguanidine

Guidance literature:: With peracetic acid; ammonium sulfate; [¹³¹I]-sodium iodide; at 160 ℃; for 0.5h;

Reference yield:

: 3-(tributylstannyl)benzylguanidine

: 77679-27-7
[¹³¹I]-meta-iodobenzylguanidine

Guidance literature:: With potassium dihydrogenphosphate; [¹³¹I]-sodium iodide; dihydrogen peroxide; acetic acid; In water; at 20 ℃; for 0.0833333h;
DOI:10.1002/jlcr.3348