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Basic Information
CAS No.: 1239-04-9
Name: 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-phenethyl-2,6-methano-3-benzazocin-8-ol hydrobromide
Molecular Structure:
Molecular Structure of 1239-04-9 (1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-phenethyl-2,6-methano-3-benzazocin-8-ol hydrobromide)
Formula: C22H27 N O . Br H
Molecular Weight: 402.42
Synonyms: 2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-phenylethyl)-, hydrobromide (9CI);2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-phenethyl-, hydrobromide (6CI,8CI);1,2,3,4,5,6-Hexahydro-8-hydroxy-6,11-dimethyl-3-phenethyl-2,6-methano-3-benzazocinehydrobromine; 2'-Hydroxy-5,9-dimethyl-2-phenethyl-6,7-benzomorphanhydrobromide; NIH 7519; Narphen; Phanazocine; Phenazocine hydrobromide;Prinadol; Prinadol hydrobromide; SKF 6574; Xenagol
Density: g/cm3
Melting Point: 166-170°
Boiling Point: 461°Cat760mmHg
Flash Point: 220.5°C
Hazard Symbols: 3
Safety: Poison by subcutaneous and intravenous routes. An experimental teratogen. An analgesic. When heated to decomposition it emits toxic fumes of NOx and HBr.
PSA: 23.47000
LogP: 5.05510
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Chemistry

Molecule structure of Phenazocine hydrobromide (CAS NO.1239-04-9):

Molecular Weight: 402.36782 g/mol
Molecular Formula: C22H28BrNO 
Boiling Point: 461 °C at 760 mmHg
Flash Point: 220.5 °C
Enthalpy of Vaporization: 74.94 kJ/mol
Vapour Pressure: 4.05E-09 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 401.135427
MonoIsotopic Mass: 401.135427
Topological Polar Surface Area: 23.5
Heavy Atom Count: 25
Complexity: 432 
Canonical SMILES: CC1C2CC3=C(C1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)O.Br
InChI: InChI=1S/C22H27NO.BrH/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17;/h3-9,15-16,21,24H,10-14H2,1-2H3;1H
InChIKey: MNMGNPZLUMHSKK-UHFFFAOYSA-N
EINECS of Phenazocine hydrobromide (CAS NO.1239-04-9): 214-982-5

Toxicity Data With Reference

1.    

scu-mus LD50:22,500 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 130 (1960),431.
2.    

ivn-mus LD50:11 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 6 (1964),334.

Safety Profile

Poison by subcutaneous and intravenous routes. An experimental teratogen. An analgesic. When heated to decomposition it emits toxic fumes of NOx and HBr.

Specification

 Phenazocine hydrobromide (CAS NO.1239-04-9) is also named as Phenazocine (+-)- hydrobromide ; Phenazocine hydrobromide ;  2'-Hydroxy-5,9-dimethyl-2-phenethyl-6,7-benzomorphan hydrobromide ; NIH 7519 hydrobromide ; Narphen ; 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-phenethyl-2,6-methano-3-benzazocin-8-ol hydrobromide ; 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-phenethyl-, hydrobromide .