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| CAS No.: | 76-90-4 |
|---|---|
| Name: | MEPENZOLATE BROMIDE |
| Molecular Structure: | |
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| Formula: | C21H26 N O3 . Br |
| Molecular Weight: | 420.346 |
| Synonyms: | 3-Hydroxy-1,1-dimethylpiperidiniumbromide benzilate (6CI,7CI); Piperidinium,3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl-, bromide (9CI); Piperidinium,3-hydroxy-1,1-dimethyl-, bromide, benzilate (8CI); Benzilic acid, ester with3-hydroxy-1,1-dimethylpiperidinium bromide (8CI); 1-Methyl-3-piperidylbenzilate methylbromide; Cantil; Cantilaque; Cantilon; Cantril; Colibantil;Colopiril; Colum; Delevil; Gastropidil; JB 340; Mepenzolate bromide;N-Methyl-3-piperidyl benzilate methyl bromide;N-Methyl-3-piperidyldiphenylglycolate methobromide; NSC 4358; Trancolon |
| Melting Point: | 228-229°C dec. |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Br− and NOx. |
| PSA: | 46.53000 |
| LogP: | -0.33270 |
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Chemistry
Molecule structure of Cantil (CAS NO.76-90-4) :
IUPAC Name: (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Molecular Weight: 420.34004 g/mol
Molecular Formula: C21H26BrNO3
Melting Point: 228-229 °C dec.
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 419.109606
MonoIsotopic Mass: 419.109606
Topological Polar Surface Area: 46.5
Heavy Atom Count: 26
Complexity: 432
Canonical SMILES: C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]
InChI: InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1
InChIKey: JRRNZNSGDSFFIR-UHFFFAOYSA-M
EINECS: 200-992-7
Product Categories: Intermediates & Fine Chemicals; Pharmaceuticals
Uses
Cantil (CAS NO.76-90-4) is used as an anticholinergi.
Toxicity Data With Reference
| 1. | orl-rat LD50:742 mg/kg | JOPDAB Journal of Pediatrics. 69 (1966),663. | ||
| 2. | ipr-rat LD50:158 mg/kg | DRUGAY Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. 6 (1982),358. | ||
| 3. | scu-rat LD50:740 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 18 (1971),185. | ||
| 4. | ivn-rat LD50:22 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,148. | ||
| 5. | orl-mus LD50:900 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1965 | ||
| 6. | ivn-mus LD50:9800 µg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1965 | ||
| 7. | scu-mus LD50:455 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),358. |
Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Br− and NOx.
Hazard Codes: 
Xn
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: TN5710000
Specification
Cantil (CAS NO.76-90-4) is also called 1-Methyl-3-piperidyl benzilate methylbromide ; 3-((Hydroxydiphenylacetyl)oxy)-1,1-dimethylpiperidinium bromide ; 3-Hydroxy-1,1-dimethylpiperidinium bromide benzilate ; Benzilic acid, 1-methyl-3-piperidyl ester methobromide ; Benzilic acid, ester with 3-hydroxy-1,1-dimethylpiperidinium bromide ; Bromure de mepenzolate ; Bromure de mepenzolate [INN-French] ; Bromuro de mepenzolato ; Bromuro de mepenzolato [INN-Spanish] ; Cantilaque ; Cantilon ; Colibantil ; Colopiril ; Colum ; Delevil ; Eftoron ; Gastropidil ; JB 340 ; Mepenzolate bromide ; Mepenzolati bromidum ; Mepenzolati bromidum [INN-Latin] ; N-Methyl-3-piperidyl benzilate methobromide ; N-Methyl-3-piperidyl benzilate methyl bromide ; N-Methyl-3-piperidyldiphenylglycolate methobromide ; NSC 4358 ; Piperidinium, 3-((hydroxydiphenylacetyl)oxy)-1,1-dimethyl-, bromide ; Tralanta ; Trancolon ; Trokonil ; UNII-APX8D32IX1 . Cantil (CAS NO.76-90-4) is crystalline solid. Cantil (CAS NO.76-90-4) is moderate toxic. It will produce toxic nitrogen oxides and bromides smoke. So the storage environment should be ventilate, low-temperature and dry.