CAINDEXNAME:GUANIDINE,[(3-IODOPHENYL)METHYL]
![CAINDEXNAME:GUANIDINE,[(3-IODOPHENYL)METHYL] Structure](https://image.chemsrc.com/caspic/215/80663-95-2.png)
CAINDEXNAME:GUANIDINE,[(3-IODOPHENYL)METHYL] structure
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Common Name | CAINDEXNAME:GUANIDINE,[(3-IODOPHENYL)METHYL] | ||
|---|---|---|---|---|
| CAS Number | 80663-95-2 | Molecular Weight | 648.25800 | |
| Density | 1.85g/cm3 | Boiling Point | 382.1ºC at 760mmHg | |
| Molecular Formula | C16H22I2N6O4S | Melting Point | N/A | |
| MSDS | USA | Flash Point | 184.9ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Iodobenzyl-guanidine hemisulfate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.85g/cm3 |
|---|---|
| Boiling Point | 382.1ºC at 760mmHg |
| Molecular Formula | C16H22I2N6O4S |
| Molecular Weight | 648.25800 |
| Flash Point | 184.9ºC |
| Exact Mass | 647.95100 |
| PSA | 206.78000 |
| LogP | 5.35840 |
| InChIKey | PDWUPXJEEYOOTR-UHFFFAOYSA-N |
| SMILES | NC(N)=NCc1cccc(I)c1 |
| Storage condition | 2-8°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 29252900 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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CAINDEXNAME:GUA... CAS#:80663-95-2 |
| Literature: Wieland; Donald M.; Brown; Lawrence E.; Beierwaltes; William H.; Wu; Jiann-long Patent: US4584187 A1, 1986 ; |
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CAINDEXNAME:GUA... CAS#:80663-95-2 |
| Literature: Gourand, Fabienne; Mercey, Guillaume; Ibazizene, Meziane; Tirel, Olivier; Henry, Joel; Levacher, Vincent; Perrio, Cecile; Barre, Louisa Journal of Medicinal Chemistry, 2010 , vol. 53, # 3 p. 1281 - 1287 |
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CAINDEXNAME:GUA... CAS#:80663-95-2 |
| Literature: Wieland; Mangner; Inbasekaran; Brown; Wu Journal of Medicinal Chemistry, 1984 , vol. 27, # 2 p. 149 - 155 |
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CAINDEXNAME:GUA... CAS#:80663-95-2 |
| Literature: Wilson, Lawrence J.; Klopfenstein, Sean R.; Li, Min Tetrahedron Letters, 1999 , vol. 40, # 21 p. 3999 - 4002 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 0 | |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Inflammatory stimuli induce inhibitory S-nitrosylation of the deacetylase SIRT1 to increase acetylation and activation of p53 and p65.
Sci. Signal. 7(351) , ra106, (2014) Inflammation increases the abundance of inducible nitric oxide synthase (iNOS), leading to enhanced production of nitric oxide (NO), which can modify proteins by S-nitrosylation. Enhanced NO productio... |
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The effects of MIBG on the invasive properties of HepG2 hepatocellular carcinoma cells.
Int. J. Mol. Med. 34(3) , 842-8, (2014) The aim of the present study was to investigate the effects of meta-iodobenzylguanidine (MIBG) on the invasive properties of hepatocellular carcinoma (HCC) cells and examine whether these effects are ... |
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Patient-specific dosimetry using pretherapy [¹²⁴I]m-iodobenzylguanidine ([¹²⁴I]mIBG) dynamic PET/CT imaging before [¹³¹I]mIBG targeted radionuclide therapy for neuroblastoma.
Mol. Imaging Biol. 17(2) , 284-94, (2015) Iodine-131-m-iodobenzylguanidine ([(131)I]mIBG)-targeted radionuclide therapy (TRT) is a standard treatment for recurrent or refractory neuroblastoma with response rates of 30-40 %. The aim of this st... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| meta-iodobenzylguanidine |
| 3-iodo benzyl guanidine |
| m-Iod-6-benzylaminopurin |
| N-Dimethylhomotryptamin |
| N-Dimethylhomotryptamine |
| MFCD00151189 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 3-Iodobenzyl-guanidine hemisulfate? |
| A: LogP of 3-Iodobenzyl-guanidine hemisulfate is 5.35840. |
| Q: What is the polar surface area (PSA) of 3-Iodobenzyl-guanidine hemisulfate? |
| A: Polar surface area (PSA) of 3-Iodobenzyl-guanidine hemisulfate is 206.78000. |
| Q: What is the CAS number of 3-Iodobenzyl-guanidine hemisulfate? |
| A: CAS number of 3-Iodobenzyl-guanidine hemisulfate is 80663-95-2. |
| Q: What is the English name of 3-Iodobenzyl-guanidine hemisulfate? |
| A: The English name of 3-Iodobenzyl-guanidine hemisulfate is 3-Iodobenzyl-guanidine hemisulfate. |
| Q: What English synonyms does 3-Iodobenzyl-guanidine hemisulfate have? |
| A: English synonyms of 3-Iodobenzyl-guanidine hemisulfate: meta-iodobenzylguanidine, 3-iodo benzyl guanidine, m-Iod-6-benzylaminopurin, N-Dimethylhomotryptamin, N-Dimethylhomotryptamine, MFCD00151189. |
| Q: What is the molecular weight of 3-Iodobenzyl-guanidine hemisulfate? |
| A: Molecular weight of 3-Iodobenzyl-guanidine hemisulfate is 648.25800. |
| Q: What are the upstream materials of 3-Iodobenzyl-guanidine hemisulfate? |
| A: Related upstream materials(CAS) of 3-Iodobenzyl-guanidine hemisulfate: 696-40-2;14527-26-5;103346-17-4;420-04-2;3718-88-5;3674-54-2. |
| Q: What are the storage conditions for 3-Iodobenzyl-guanidine hemisulfate? |
| A: Storage conditions for 3-Iodobenzyl-guanidine hemisulfate: 2-8°C. |
| Q: What is the boiling point of 3-Iodobenzyl-guanidine hemisulfate? |
| A: Boiling point of 3-Iodobenzyl-guanidine hemisulfate is 382.1ºC at 760mmHg. |
| Q: What is the molecular formula of 3-Iodobenzyl-guanidine hemisulfate? |
| A: Molecular formula of 3-Iodobenzyl-guanidine hemisulfate is C16H22I2N6O4S. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |