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5985-35-3

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Basic Information
CAS No.: 5985-35-3
Name: 17-methylmorphinan-3-ol
Molecular Structure:
Molecular Structure of 5985-35-3 (17-methylmorphinan-3-ol)
Formula: C17H23NO•BrH
Molecular Weight: 338.33
Density: 1.17g/cm3
Boiling Point: 410.4°Cat760mmHg
Flash Point: 207.2°C
Safety: Poison by subcutaneous, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HBr.
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Chemistry

Molecule structure of Methorphinan hydrobromide (CAS NO.5985-35-3) :

Molecular Weight: 338.28256 g/mol
Molecular Formula: C17H24BrNO 
Density: 1.17 g/cm3 
Boiling Point: 410.4 °C at 760 mmHg 
Flash Point: 207.2 °C
Index of Refraction: 1.62
Molar Refractivity: 76.92 cm3
Molar Volume: 218.8 cm3
Polarizability: 30.49×10-24 cm3
Surface Tension: 52 dyne/cm 
Enthalpy of Vaporization: 68.84 kJ/mol
Vapour Pressure: 2.55E-07 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 2
Tautomer Count: 3
Exact Mass: 337.104127
MonoIsotopic Mass: 337.104127
Topological Polar Surface Area: 23.5
Heavy Atom Count: 20
Complexity: 357 
Canonical SMILES: CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O.Br
InChI: InChI=1S/C17H23NO.BrH/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1H
InChIKey of Methorphinan hydrobromide (CAS NO.5985-35-3) : WVFGKGPFQSEWON-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:350 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 109 (1953),189.
2.    

scu-rat LD50:108 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 85 (1951),387.
3.    

orl-mus LD50:375 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 109 (1953),189.
4.    

ipr-mus LD50:120 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 99 (1950),163.
5.    

ivn-mus LD50:33 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 85 (1951),387.
6.    

ivn-rbt LD50:19 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 85 (1951),387.

Safety Profile

Poison by subcutaneous, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HBr.

Specification

 Methorphinan hydrobromide (CAS NO.5985-35-3) is also called Levorphanol dl-form hydrobromide ; (+-)-17-Methylmorphinan-3-ol hydrobromide ; Dromoran hydrobromide ; Morphinan, 3-hydroxy-N-methyl-, hydrobromide, (+-)- ; NSC 117861 ; Racemorphan hydrobromide ; Ro 1-5431 ; dl-3-Hydroxy-N-methylmorphinan hydrobromide ; Morphinan-3-ol, 17-methyl-, hydrobromide .