| 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 |
| optical activity |
[α]25/D 24 to 26°, c = 5 in H2O(lit.) |
| Water Solubility |
H2O: 50mg/mL |
| Merck |
14,8406 |
| BRN |
6100669 |
| Stability |
Stable, but air and light sensitive. Incompatible with acids, bases, strong oxidizing agents. Slightly hygroscopic. |
| 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) |