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| CAS No.: | 1235-82-1 |
|---|---|
| Name: | Biperiden hydrochloride |
| Molecular Structure: | |
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|
|
| Formula: | C21H29NO.HCl |
| Molecular Weight: | 347.97 |
| Synonyms: | 1-Piperidinepropanol,a-5-norbornen-2-yl-a-phenyl-, hydrochloride (6CI,7CI,8CI);1-Piperidinepropanol, a-bicyclo[2.2.1]hept-5-en-2-yl-a-phenyl-, hydrochloride (9CI);Akineton hydrochloride;Akinophyl;NSC 170950;NSC 84989;a-(Bicyclo[2.2.1]hept-5-en-2-yl)-a-phenyl-1-piperidinepropanolhydrochloride; |
| EINECS: | 214-976-2 |
| Melting Point: | 238° |
| Boiling Point: | 462.1 °C at 760 mmHg |
| Flash Point: | 224.5 °C |
| Appearance: | White, crystalline, odorless powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| PSA: | 23.47000 |
| LogP: | 4.70230 |
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Chemistry
Molecular Formula: C21H30ClNO
Molar mass: 347.92 g/mol
EINECS: 214-976-2
Density: 1.2 g/cm3
Flash Point: 224.5 °C
Index of Refraction: 1.518
Boiling Point: 462.1 °C at 760 mmHg
Vapour Pressure: 2.45E-09 mmHg at 25°C
Product categories of Biperiden hydrochloride (1235-82-1): Acetylcholine receptor
Structure of Biperiden hydrochloride (1235-82-1):
H-Bond Donor: 2
H-Bond Acceptor: 2
Systematic Name: 1-(6-Bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-(1-piperidyl)propan-1-ol hydrochloride
SMILES: Cl.OC(c1ccccc1)(CCN2CCCCC2)C4C3\C=C/C(C3)C4
InChI: InChI=1/C21H29NO.ClH/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;1H
InChIKey: RDNLAULGBSQZMP-UHFFFAOYAL
Std. InChI: InChI=1S/C21H29NO.ClH/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;1H
Std. InChIKey: RDNLAULGBSQZMP-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:750 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 2 (1960),379. | ||
| 2. | orl-mus LD50:545 mg/kg | 29ZVAB Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,17. | ||
| 3. | ivn-mus LD50:56 mg/kg | MEIEDD Merck Index. 10 (1983),175. | ||
| 4. | orl-dog LD50:340 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 2 (1960),379. |
Safety Profile
Poison by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl. See also BIPERIDEN.
Hazard Codes: Xn.gif){kind=small}
Risk Statements:
22: Harmful if swallowed
Specification
Biperiden hydrochloride (1235-82-1) also can be called Akineton ; a-Bicyclo[2.2.1]hept-5-en-2-yl-a-phenyl-1-piperidinepropanol Hydrochloride ; -Bicyclo[2.2.1]hept-5-en-2-yl-1-phenyl-3-piperidin-1-ylpropan-1-ol hydrochloride ; a-5-Norbornen-2-yl-a-phenyl-1-piperidinepropanol Hydrochloride ;and 1-Bicycloheptenyl-1-phenyl-3-piperidinopropanol Hydrochloride .