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The Molecular Structure of Allopseudocodeine hydrochloride (CAS NO.63732-62-7):
Molecular Formula: C18H22ClNO3
Molecular Weight: 335.825180 g/mol
Classification: Drug / Therapeutic Agent
Flash Point: 235.7 °C
Enthalpy of Vaporization: 76.68 kJ/mol
Boiling Point: 466 °C at 760 mmHg
Vapour Pressure: 1.74E-09 mmHg at 25°C
Nominal Mass: 335 Da
Average Mass: 335.8252 Da
Monoisotopic Mass: 335.128821 Da
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -1.22
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 15.04
Polar Surface Area: 30.93Å2
Smiles:O[C@H]1[C@H]2[C@@H]3[N@](CC[C@@]42[C@@H](Oc2c4c(C3)ccc2OC)C=C1)C.Cl
1. | scu-mus LDLo:300 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 51 (1934),35. | ||
2. | scu-rbt LDLo:200 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 51 (1934),35. |
Poison by subcutaneous route. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Allopseudocodeine hydrochloride (CAS NO.63732-62-7) is also called as Morphinan-8-alpha-ol, 6,7-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, hydrochloride .