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CAS No.: | 1239-04-9 |
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Name: | 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-phenethyl-2,6-methano-3-benzazocin-8-ol hydrobromide |
Molecular Structure: | |
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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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
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. |
Poison by subcutaneous and intravenous routes. An experimental teratogen. An analgesic. When heated to decomposition it emits toxic fumes of NOx and HBr.
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 .