phenazocine

The 2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-phenylethyl)-, with the CAS registry number of 127-35-5, is also known as 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(2-phenethyl)-2,6-methano-3-benzazocin-8-ol. Its EINECS registry number is 204-835-3. Its molecular formula is C₂₂H₂₇NO and molecular weight is 321.4559. What's more, its systematic name is 6,11-Dimethyl-3-(2-phenylethyl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol. This chemical's classification codes are Analgesics; Analgesics, opioid; Central Nervous System Agents. It is an opioid analgesic with actions and uses similar to Morphine.

Physical properties about the 2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(2-phenylethyl)- are: (1)ACD/LogP: 4.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 2.77; (6)ACD/BCF (pH 7.4): 36.21; (7)ACD/KOC (pH 5.5): 9.97; (8)ACD/KOC (pH 7.4): 130.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 98.89 cm³; (15)Molar Volume: 293 cm³; (16)Surface Tension: 43.1 dyne/cm; (17)Density: 1.097 g/cm³; (18)Flash Point: 220.5 °C; (19)Enthalpy of Vaporization: 74.94 kJ/mol; (20)Boiling Point: 461 °C at 760 mmHg; (21)Vapour Pressure: 4.05E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc4c(c1)C2(C(C(N(CC2)CCc3ccccc3)C4)C)C
(2) InChI: InChI=1/C22H27NO/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
(3) InChIKey: ZQHYKVKNPWDQSL-UHFFFAOYAO

The toxicity data is as follows: