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| CAS No.: | 561-78-4 |
|---|---|
| Name: | ALPHAPRODINE HYDROCHLORIDE CII (250 MG) |
| Molecular Structure: | |
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| Formula: | C16H23 N O2 . Cl H |
| Molecular Weight: | 297.86 |
| Synonyms: | 4-Piperidinol,1,3-dimethyl-4-phenyl-, propanoate (ester), hydrochloride, (3R,4S)-rel- (9CI);4-Piperidinol, 1,3-dimethyl-4-phenyl-, propanoate (ester), hydrochloride, cis-(?à)-;4-Piperidinol,1,3-dimethyl-4-phenyl-, propionate (ester), hydrochloride, (?à)- (8CI);4-Piperidinol, 1,3-dimethyl-4-phenyl-, propanoate (ester),hydrochloride, cis-;Alphaprodine hydrochloride;Nisentil;Nisintel;Nu 1196;Prisilidene;Prisilidene hydrochloride;dl-1,3-Dimethyl-4-phenyl-4-piperidinol propionatehydrochloride;dl-Alphaprodine hydrochloride;a-Prodine hydrochloride; |
| Density: | g/cm3 |
| Melting Point: | 220-221° |
| Boiling Point: | 338.4°Cat760mmHg |
| Flash Point: | 110.3°C |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25 |
| Safety: | A deadly human poison by ingestion. Poison experimentally by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl. See also NISENTIL. |
| PSA: | 29.54000 |
| LogP: | 3.54660 |
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Chemistry
Empirical Formula of Alphaprodine Hydrochloride (CAS NO.561-78-4): C16H24ClNO2
Molecular Weight: 297.8203
Flash Point: 110.3 °C
Enthalpy of Vaporization: 58.18 kJ/mol
Boiling Point: 338.4 °C at 760 mmHg
Vapour Pressure: 9.82E-05 mmHg at 25 °C
Structure of Alphaprodine Hydrochloride (CAS NO.561-78-4):
IUPAC Name: [(3S,4R)-1,3-Dimethyl-4-phenylpiperidin-4-yl] propanoate hydrochloride
Canonical SMILES: CCC(=O)OC1(CCN(CC1C)C)C2=CC=CC=C2.Cl
Isomeric SMILES: CCC(=O)O[C@@]1(CCN(C[C@@H]1C)C)C2=CC=CC=C2.Cl
InChI: InChI=1S/C16H23NO2.ClH/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2;/h5-9,13H,4,10-12H2,1-3H3;1H/t13-,16+;/m0./s1
InChIKey: LFLUADVCIBEPQJ-MELYUZJYSA-N
Toxicity Data With Reference
| 1. | orl-hmn LDLo:1440 µg/kg | CTOXAO Clinical Toxicology. 5 (1972),307. | ||
| 2. | orl-rat LD50:90 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 93 (1948),314. | ||
| 3. | ipr-rat LD50:22 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),312. | ||
| 4. | scu-rat LD50:23 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),312. | ||
| 5. | ivn-rat LD50:25 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 109 (1957),171. | ||
| 6. | ipr-mus LD50:73 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),312. | ||
| 7. | scu-mus LD50:98 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1950),312. | ||
| 8. | ivn-mus LD50:32 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 99 (1948),314. | ||
| 9. | ivn-dog LD50:36,200 µg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 109 (1957),171. | ||
| 10. | ivn-rbt LD50:19 mg/kg | JPETAB Journa |
Safety Profile
A deadly human poison by ingestion. Poison experimentally by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition Alphaprodine Hydrochloride (CAS NO.561-78-4) emits toxic fumes of NOx and HCl. See also NISENTIL.
Specification
Alphaprodine Hydrochloride , its cas register number is 561-78-4. It also can be called Nisentil hydrochloride ; alpha-Prodine hydrochloride ; and dl-1,3-Dimethyl-4-phenyl-4-piperidinol propionate hydrochloride .