METERGOLINE
- Product NameMETERGOLINE
- CAS17692-51-2
- MFC25H29N3O2
- MW403.52
- EINECS241-686-3
- MOL File17692-51-2.mol
Chemical Properties
| Melting point | 148-150 °C(lit.) |
| alpha | D28 -7 ±2° |
| Boiling point | 612.5±55.0 °C(Predicted) |
| Density | 1.25±0.1 g/cm3(Predicted) |
| storage temp. | −20°C |
| solubility | 0.1 M HCl: 1.4 mg/mL |
| pka | 12.45±0.46(Predicted) |
| form | solid |
| color | White |
| Merck | 13,5962 |
| Stability | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethaqnol may be stored at -20°C for up to 2 month. |
| InChIKey | WZHJKEUHNJHDLS-QTGUNEKASA-N |
| SMILES | C12=C3C=CC=C1[C@@]1([H])C[C@H](CN(C)[C@]1([H])CC2=CN3C)CNC(=O)OCC1C=CC=CC=1 |&1:6,9,13,r| |
| SMILES | [H][C@]2(CNC(=O)OCc1ccccc1)CN(C)[C@]3([H])Cc4cn(C)c5cccc(c45)[C@@]3([H])C2 |
| CAS DataBase Reference | 17692-51-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22 |
| Safety Statements | 36 |
| WGK Germany | 3 |
| RTECS | FA1070000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |
| Toxicity | LD50 in mice (mg/kg): 85 i.p., 430 orally; in rats (mg/kg): >800 orally (Beretta) |
