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| CAS No.: | 64-39-1 |
|---|---|
| Name: | trimeperidine |
| Molecular Structure: | |
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| Formula: | C17H25 N O2 |
| Molecular Weight: | 275.391 |
| Synonyms: | 4-Piperidinol,1,2,5-trimethyl-4-phenyl-, propanoate (ester) (9CI); 4-Piperidinol,1,2,5-trimethyl-4-phenyl-, propionate (6CI); 4-Piperidinol,1,2,5-trimethyl-4-phenyl-, propionate (ester) (8CI);1,2,5-Trimethyl-4-phenyl-4-(propionyloxy)piperidine;1,2,5-Trimethyl-4-phenyl-4-propionoxypiperidine; Isopromedol; Promedol;Trimeperidin; Trimeperidine |
| Density: | 1.04g/cm3 |
| Melting Point: | 182-183 °C |
| Boiling Point: | 348.2°C at 760 mmHg |
| Flash Point: | 109°C |
| Safety: | Poison by intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS. |
| PSA: | 29.54000 |
| LogP: | 3.13310 |
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Chemistry
Molecule structure of Isopromedol (CAS NO.64-39-1) :
IUPAC Name: [(2S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
Molecular Weight: 275.3859 g/mol
Molecular Formula: C17H25NO2
Density: 1.04 g/cm3
Boiling Point: 348.2 °C at 760 mmHg
Flash Point: 109 °C
Index of Refraction: 1.53
Molar Refractivity: 81.34 cm3
Molar Volume: 263 cm3
Polarizability: 32.24×10-24 cm3
Surface Tension: 39.3 dyne/cm
Enthalpy of Vaporization: 59.25 kJ/mol
Vapour Pressure: 5.12E-05 mmHg at 25 °C
XLogP3: 3.1
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 275.188529
MonoIsotopic Mass: 275.188529
Topological Polar Surface Area: 29.5
Heavy Atom Count: 20
Complexity: 338
Defined Atom StereoCenter Count: 2
Undefined Atom StereoCenter Count: 1
Canonical SMILES: CCC(=O)OC1(CC(N(CC1C)C)C)C2=CC=CC=C2
Isomeric SMILES: CCC(=O)OC1(C[C@@H](N(C[C@H]1C)C)C)C2=CC=CC=C2
InChIKey: UVITTYOJFDLOGI-LICQEQMYSA-N
EINECS of Isopromedol (CAS NO.64-39-1) : 200-583-3
Toxicity Data With Reference
| 1. | scu-rat LD50:38 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 14 (1980),850. | ||
| 2. | ivn-rat LD50:22 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 8 (1974),189. | ||
| 3. | ipr-mus LD50:137 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 10 (1976),1193. | ||
| 4. | scu-mus LD50:200 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 10 (1976),1193. | ||
| 5. | ivn-mus LD50:38 mg/kg | RPTOAN Russian Pharmacology and Toxicology. Translation of FATOAO. 31 (1968),318. |
Safety Profile
Poison by intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.
Specification
Isopromedol (CAS NO.64-39-1) is also called 1,2,5-Trimethyl-4-phenyl-4-piperidinol, propionate (ester) ; 1,2,5-Trimethyl-4-phenyl-4-propionoxypiperidine ; 4-Piperidinol, 4-phenyl-1,2,5-trimethyl-, propionate ; Promedol ; Trimeperidina ; Trimeperidina [INN-Spanish] ; Trimeperidine ; Trimeperidinum ; Trimeperidinum [INN-Latin] ; UNII-1M2IB31DTS .