114-49-8
| Name | Scopolamine hydrobromide |
| CAS | 114-49-8 |
| EINECS(EC#) | 204-050-6 |
| Molecular Formula | C17H22BrNO4 |
| MDL Number | MFCD00012647 |
| Molecular Weight | 384.26 |
| MOL File | 114-49-8.mol |
Chemical Properties
| Appearance | Off-White Solid |
| Melting point | 195-199 °C (dry matter)(lit.) |
| alpha | D25 -24 to -26° (c = 5, calculated on anhydrous basis) |
| storage temp. | Store at RT |
| solubility | H2O: 50 mg/mL |
| form | powder |
| color | white to off-white |
| Water Solubility | H2O: 100mM |
| Usage | An acetylcholine antagonist. Used in treatment of motion sickness; antiemetic; antispasmodic; mydriatic; preanesthetic medicant |
| Major Application | forensics and toxicology |
| InChI | InChI=1/C17H21NO4.BrH/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/t11-,12-,13-,14+,15-,16+;/s3 |
| InChIKey | WTGQALLALWYDJH-MLRWSLNSNA-N |
| SMILES | [C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1.Br |&1:0,3,5,9,12,16,r| |
| CAS DataBase Reference | 114-49-8(CAS DataBase Reference) |
| EPA Substance Registry System | 114-49-8(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P264-P270-P301+P312-P330-P501 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1544 6.1/PG 1 |
| WGK Germany | 3 |
| RTECS | YM4550000 |
| F | 3-8 |
| TSCA | TSCA listed |
| REACH Registrations | Inactive |
| HS Code | 2939800000 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |
| Toxicity |