Swertiamarine
- Product NameSwertiamarine
- CAS17388-39-5
- CBNumberCB6470993
- MFC16H22O10
- MW374.34
- MDL NumberMFCD07783984
- MOL File17388-39-5.mol
Chemical Properties
| Melting point: | 113-114° |
| alpha | D20 -127° (c = 1 in 96% ethanol) |
| Boiling point: | 649.3±55.0 °C(Predicted) |
| Density | 1.57±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | DMSO : 250 mg/mL (667.84 mM; Need ultrasonic) |
| form | Solid |
| pka | 11.56±0.60(Predicted) |
| color | White to Yellow to Orange |
| λmax | 238nm(MeOH)(lit.) |
| Merck | 14,9010 |
| BRN | 55278 |
| Stability: | Hygroscopic |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChIKey | HEYZWPRKKUGDCR-QBXMEVCASA-N |
| SMILES | OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O |
| CAS DataBase Reference | 17388-39-5(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
    GHS05,GHS06,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H301-H314-H317-H351-H410 |
| Precautionary statements | P501-P273-P272-P260-P270-P202-P201-P264-P280-P391-P308+P313-P362+P364-P303+P361+P353-P333+P313-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P405 |
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| RTECS | UQ1366700 |
| HS Code | 29389090 |
| Storage Class | 11 - Combustible Solids |
| Toxicity | mouse,LD50,intraperitoneal,> 8gm/kg (8000mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 13, Pg. 464, 1982. |