6533-68-2
| Name | SCOPOLAMINE HYDROBROMIDE TRIHYDRATE |
| CAS | 6533-68-2 |
| EINECS(EC#) | 613-776-6 |
| Molecular Formula | C17H28BrNO7 |
| MDL Number | MFCD00150066 |
| Molecular Weight | 438.31 |
| MOL File | 6533-68-2.mol |
Chemical Properties
| Appearance | white crystalline solid |
| Melting point | 197-194 °C |
| refractive index | -25.5 ° (C=5, H2O) |
| storage temp. | Poison room |
| solubility | H2O: soluble50mg/mL |
| form | Crystals or Crystalline Powder |
| color | white to off-white |
| Stability: | Stable, but air and light sensitive. Incompatible with acids, bases, strong oxidizing agents. Slightly hygroscopic. |
| Optical Rotation | [α]25/D 24 to 26°, c = 5 in H2O(lit.) |
| Water Solubility | H2O: 50mg/mL |
| Merck | 8406 |
| BRN | 6100669 |
| InChI | InChI=1/C17H21NO4.BrH.H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;/h2-6,11-16,19H,7-9H2,1H3;1H;1H2/t11-,12-,13-,14+,15-,16+;;/s3 |
| InChIKey | UXOOBDDSNJVVBU-MJICIYPYNA-N |
| SMILES | CN1[C@@H]2C[C@@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@H]1[C@@H]1O[C@H]21.Br.O |&1:2,4,8,18,19,21,r| |
| LogP | 0.760 (est) |
| CAS DataBase Reference | 6533-68-2(CAS DataBase Reference) |
| EPA Substance Registry System | Scopolamine hydrobromide trihydrate (6533-68-2) |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H300+H310+H330 |
| Precautionary statements | P260-P262-P264-P280-P302+P352+P310-P304+P340+P310 |
| Hazard Codes | T+ |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN1544 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | YM4550000 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29399990 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 1 Dermal Acute Tox. 2 Inhalation Acute Tox. 2 Oral |