118399-22-7
| Name | NODULARIN |
| CAS | 118399-22-7 |
| EINECS(EC#) | 621-437-9 |
| Molecular Formula | C41H60N8O10 |
| MDL Number | MFCD16659855 |
| Molecular Weight | 824.96 |
| MOL File | 118399-22-7.mol |
Chemical Properties
| density | 1.29±0.1 g/cm3(Predicted) |
| Fp | 11℃ |
| storage temp. | −20°C |
| solubility | methanol: 2 mg/mL Further dilute to 10% (v/v) methanol. Store solutions at −20°C for up to six months. |
| form | Dry residue containing traces of monobasic potassium phosphate. |
| pka | 3.39±0.70(Predicted) |
| Sequence | cyclo({Abu}-{Bas}-Arg-{Oaa}-{Ggu}) |
| Major Application | cleaning products cosmetics food and beverages personal care |
| InChIKey | IXBQSRWSVIBXNC-HSKGSTCASA-N |
| SMILES | CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(C)\C=C\[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)\C(=C\C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]2C)C(O)=O)C(O)=O |
| IARC | 3 (Vol. 94) 2010 |
| EPA Substance Registry System | Nodularin (118399-22-7) |
Safety Data
| Hazard Codes | T,F,T+ |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | GU2294250 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |
| Hazardous Substances Data | 118399-22-7(Hazardous Substances Data) |
| Toxicity |