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| CAS No.: | 155-41-9 |
|---|---|
| Name: | METHSCOPOLAMINE BROMIDE |
| Molecular Structure: | |
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| Formula: | C18H24NO4.Br |
| Molecular Weight: | 398.297 |
| Synonyms: | N-Methylscopolaminium bromide;NSC 120606;NSC61809;Neo-Avagal;Pamine;Pamine bromide;Paraspan;Restropin;Scopolamine methyl bromide;3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane,7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, [7(S)-(1a,2b,4b,5a,7b)]-;3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane,7-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-9,9-dimethyl-, bromide, (1a,2b,4b,5a,7b)- (9CI);Tropic acid, (-), ester with 6b,7b-epoxy-3a-hydroxy-8-methyl-1aH,5aH-tropanium bromide (8CI);(-)-Scopolaminemethobromide;Ampyrox;Diopal;Epoxymethamine bromide;Epoxytropine tropate methylbromide;Holopon;Hyoscine methyl bromide;Lescopine bromide;Methscopolamin bromide;Methylscopolamine bromide;N-Methylscopolamine bromide; |
| EINECS: | 205-844-5 |
| Melting Point: | 214-217 °C (decomp) |
| Solubility: | 50 mg/mL in water |
| Appearance: | white powder |
| Hazard Symbols: |
 T,  N
|
| Risk Codes: | 23/24/25-50/53-20/21/22 |
| Safety: | 36/37/39-45-61-60-36/37 |
| Transport Information: | UN 1544 6.1/PG 3 |
| PSA: | 59.06000 |
| LogP: | -1.97450 |
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Chemistry
Molecular Formula: C18H24BrNO4
Molar mass: 398.29 g/mol
EINECS: 205-844-5
Solubility: H2O: 50 mg/mL
Form: Powder
Color: White
Product categories of (-)-Scopolamine methyl bromide (155-41-9): Alkaloids;Tropane Alkaloids;Biochemistry
Structure of (-)-Scopolamine methyl bromide (155-41-9):
H-Bond Donor: 1
H-Bond Acceptor: 5
Canonical SMILES: C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]
Isomeric SMILES: C[N+]1([C@@H]2CC(C[C@H]1C3C2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C.[Br-]
InChI: InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12?,13-,14-,15+,16?,17?;/m1./s1
InChIKey: CXYRUNPLKGGUJF-UFBPGTJLSA-M
Toxicity Data With Reference
| 1. | orl-rat LD50:3400 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 180 (1969),155. | ||
| 2. | scu-rat LD50:2060 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 180 (1969),155. | ||
| 3. | idu-rat LD50:870 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 180 (1969),155. | ||
| 4. | orl-mus LD50:1214 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 156 (1965),467. | ||
| 5. | scu-mus LD50:880 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),1132. | ||
| 6. | ivn-mus LD50:26,806 µg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 103 (1955),100. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intravenous route. Moderately toxic by ingestion, subcutaneous, and intraduodenal routes. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−. See also BROMIDES and SCOPOLAMINE.
Hazard Codes: T.gif){kind=small}
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Risk Statements:
23: Toxic by inhalation
24: Toxic in contact with skin
25: Toxic if swallowed
50: Very Toxic to aquatic organisms
53: May cause long-term adverse effects in the aquatic environment
Safety Statements:
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
Specification
(-)-Scopolamine methyl bromide (155-41-9) also can be called N-Methylhyoscinium bromide ; 3-Oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane, 7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9,9-dimethyl-, bromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))- and (S)-6beta,7beta-Epoxy-8-methyl-3alpha-(-)-tropoyloxy-1alphaH,5alphaH-tromanium bromide .