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Isopromedol

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Name

Isopromedol

EINECS N/A
CAS No. 64-39-1 Density 1.04g/cm3
PSA 29.54000 LogP 3.13310
Solubility N/A Melting Point 182-183 °C
Formula C17H25 N O2 Boiling Point 348.2°C at 760 mmHg
Molecular Weight 275.391 Flash Point 109°C
Transport Information N/A Appearance N/A
Safety Poison by intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS. Risk Codes N/A
Molecular Structure Molecular Structure of 64-39-1 (trimeperidine) Hazard Symbols N/A
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

Article Data 11

Isopromedol Chemical Properties

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/cm
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

Isopromedol 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.

Isopromedol Safety Profile

Poison by intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx. See also ESTERS.

Isopromedol 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 .

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