Dezocine

The Dezocine is an organic compound with the formula C₁₆H₂₃NO. The systematic name of this chemical is (5R,11S)-13-amino-5-methyl-5,6,7,8,9,10,11,12-octahydro-5,11-methanobenzo[10]annulen-3-ol. With the CAS registry number 53648-55-8, it is also named as 13-Amino-5,6,7,8,9,10,11,12-octahydro-5-methyl-5,11-methanobenzocyclodecen-3-ol. The product's classification codes are Analgesic; Analgesics; Analgesics, Opioid; Central Nervous System Agents; Central Nervous System Depressants; Peripheral Nervous System Agents; Sensory System Agents. Besides, it is an opioid analgesic related to pentazocine, with a similar profile of effects that include analgesic action and euphoria at low doses. It is a useful drug for the treatment of pain.

Physical properties about Dezocine are: (1)ACD/LogP: 3.95; (2)ACD/LogD (pH 5.5): 0.86; (3)ACD/LogD (pH 7.4): 1.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.2; (6)ACD/KOC (pH 5.5): 2.71; (7)ACD/KOC (pH 7.4): 6.79; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47 Å²; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 74.19 cm³; (14)Molar Volume: 226.7 cm³; (15)Polarizability: 29.41×10^-24cm³; (16)Surface Tension: 45.7 dyne/cm; (17)Density: 1.082 g/cm³; (18)Flash Point: 191.3 °C; (19)Enthalpy of Vaporization: 66.75 kJ/mol; (20)Boiling Point: 392.6 °C at 760 mmHg; (21)Vapour Pressure: 9.99E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc2c(c1)[C@]3(CCCCC[C@@H](C2)C3N)C
(2)InChI: InChI=1/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15?,16+/m0/s1
(3)InChIKey: VTMVHDZWSFQSQP-ZDKIRESNBK
(4)Std. InChI: InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15?,16+/m0/s1
(5)Std. InChIKey: VTMVHDZWSFQSQP-ZDKIRESNSA-N