Compound Summary
Compound Information
Iobenguane sulfate
Compound Name: | Iobenguane sulfate |
Compound CID: | 11957572 |
Synonyms: | Iobenguane sulfate 87862-25-7 m-Iodobenzylguanidine hemisulfate MIBG MIBG (sulfate) More... |
Iupac Name: | 2-[(3-iodophenyl)methyl]guanidine;sulfuric acid |
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) |
InChIKey: | XNACDNPGABUBFR-UHFFFAOYSA-N |
Canonical Smiles: | C1=CC(=CC(=C1)I)CN=C(N)N.C1=CC(=CC(=C1)I)CN=C(N)N.OS(=O)(=O)O |
Isomeric Smiles: | C1=CC(=CC(=C1)I)CN=C(N)N.C1=CC(=CC(=C1)I)CN=C(N)N.OS(=O)(=O)O |
Molecular Weight: | 648.3 |
Molecular Formula: | C16H22I2N6O4S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Iobenguane sulfate
Molecular Weight: | 648.3 |
Molecular Formula: | C16H22I2N6O4S |
Hydrogen Bond Donor Count: | 6 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 29 |
Complexity: | 247 |
Synonyms
Iobenguane sulfate
| Iobenguane sulfate | Iobenguane sulfate |
|---|---|
Iobenguane sulfate |
87862-25-7 |
m-Iodobenzylguanidine hemisulfate |
MIBG |
MIBG (sulfate) |
m-Iodobenzyl guanidine sulfate |
Iobenguane (sulfate) |
1-(3-Iodobenzyl)guanidine hemisulfate |
Guanidine, (3-iodophenyl)methyl-, sulfate (2:1) |
Guanidine, N-((3-iodophenyl)methyl)-, sulfate (2:1) |
3-Iodobenzylguanidine hemisulfate |
UNII-S8I0922465 |
MIBG hemisulfate |
NCGC00094011-01 |
S8I0922465 |
DSSTox_CID_25773 |
DSSTox_RID_81115 |
DSSTox_GSID_45773 |
103346-16-3 |
Iobenguane sulphate |
CAS-87862-25-7 |
NCGC00015572-04 |
3-Iodobenzyl-guanidine sulfate |
m-Iodobenzyl guanidine sulphate |
3-Iodobenzyl-guanidine sulphate |
m-Idobenzyl guanidine sulfate VANDF |
EU-0100644 |
1-(3-Iodobenzyl)guanidine HCl |
CHEMBL1374843 |
DTXSID8045773 |
3-iodobenzylguanidine hemisulphate |
3-Iodobenzyl-guanidine hemisulfate |
HMS3262A09 |
Tox21_111237 |
Tox21_113518 |
Tox21_500644 |
m-Iodobenzylguanidine hemisulfate salt |
AKOS015996512 |
CCG-221948 |
LP00644 |
NCGC00261329-01 |
E74924 |
I 9890 |
2-(3-iodophenyl)methylguanidine; sulfuric acid |
A839961 |
2-(3-iodanylphenyl)methylguanidine; sulfuric acid |
Q27289056 |
m-Iodobenzylguanidine hemisulfate salt, >=98% (HPLC and TLC) |
3-iodobenzyl-guanidine hemisulfate 103346-16-3 80663-96-3 |
Iobenguane sulfate, European Pharmacopoeia (EP) Reference Standard |
80663-96-3 |
Experimental Data
Iobenguane sulfate
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -7 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Iobenguane sulfate
Statistics Data
Iobenguane sulfate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -7 | 1 | 1 |
Statistics Data Visualization
Iobenguane sulfate
