CAS 118399-22-7|Nodularin
Introduction：Basic information about CAS 118399-22-7|Nodularin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Nodularin | ||
|---|---|---|---|
| CAS Number | 118399-22-7 | Molecular Weight | 824.963 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | / |
| Molecular Formula | C41H60N8O10 | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 11℃ |
| Symbol | GHS02, GHS06, GHS08 | Signal Word | Danger |
Names
| Name | (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Molecular Formula | C41H60N8O10 |
| Molecular Weight | 824.963 |
| Flash Point | 11℃ |
| Exact Mass | 824.443237 |
| PSA | 282.44000 |
| LogP | -0.56 |
| Index of Refraction | 1.598 |
| InChIKey | IXBQSRWSVIBXNC-HSKGSTCASA-N |
| SMILES | CC=C1C(=O)NC(C(=O)O)C(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C=CC(C)=CC(C)C(Cc2ccccc2)OC)C(C)C(=O)NC(C(=O)O)CCC(=O)N1C |
| Storage condition | −20°C |
| Water Solubility | methanol: 2 mg/mL Further dilute to 10% (v/v) methanol. Store solutions at −20°C for up to six months. |
Safety Information
| Symbol | GHS02, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H301 + H311 + H331-H370 |
| Precautionary Statements | P210-P260-P280-P301 + P310-P311 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US) |
| Hazard Codes | T: Toxic; |
| Risk Phrases | 23/24/25-38 |
| Safety Phrases | 36/37-45 |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | GU2294250 |
Articles26
More Articles| Biological treatment options for cyanobacteria metabolite removal--a review. Water Res. 46(5) , 1536-48, (2012) The treatment of cyanobacterial metabolites can consume many resources for water authorities which can be problematic especially with the recent shift away from chemical- and energy-intensive processe... | |
| Simultaneous detection of nine cyanotoxins in drinking water using dual solid-phase extraction and liquid chromatography-mass spectrometry. Toxicon 58(2) , 209-18, (2011) A solid-phase extraction (SPE)-liquid chromatography (LC)-mass spectrometry (MS) method was developed to concentrate and detect nine cyanotoxins simultaneously, including six microcystins (MCs) congen... | |
| Tumor promoters--microcystin-LR, nodularin and TNF-α and human cancer development. Anticancer Agents Med. Chem. 11(1) , 4-18, (2011) Microcystin-LR and nodularin, along with okadaic acid, are potent inhibitors of protein phosphatases 1 and 2A (PP1 and PP2A). The mechanisms of action of microcystin-LR and nodularin in the liver and ... |
Synonyms
| (2Z,5R,6S,9S,12S,13S,16R)-9-{3-[(diaminomethylidene)amino]propyl}-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid |
| Nodularin |
| (2Z,5R,6S,9S,12S,13S,16R)-9-(3-Carbamimidamidopropyl)-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid |
| 1,4,8,11,15-Pentaazacyclononadecane-5,16-dicarboxylic acid, 9-[3-[(aminoiminomethyl)amino]propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-, (2Z,5R,6S,9S,12S,13S,16R)- |
| Nodularin solution |
| 1,4,8,11,15-Pentaazacyclononadecane,cyclic peptide |
| MFCD00165004 |
| 1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid, 9-[3-[(diaminomethylene)amino]propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-, (2Z,5R,6S,9S,12S,13S,16R)- |
