RITODRINE

The CAS register number of Ritodrine is 26652-09-5. It also can be called as p-Hydroxy-alpha-(1-((p-hydroxyphenethyl)amino)ethyl)benzyl alcohol and the IUPAC name about this chemical is 4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol. The molecular formula about this chemical is C₁₇H₂₁NO₃ and molecular weight is 287.35. Classification code about this chemical are Adrenergic Agents, Adrenergic Agonists, Adrenergic beta-agonists, Autonomic Agents, Human Data, Neurotransmitter Agents, Peripheral Nervous System Agents, Relaxant [smooth muscle], Reproductive Control Agents, Reproductive Effect, Sympathomimetics and Tocolytic agents. This chemical is a tocolytic drug and it can be used to control premature labor. It is available in oral tablets or as an injection, and is typically used as the hydrochloride salt, ritodrine hydrochloride.

Physical properties about Ritodrine are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): -1.42; (3)ACD/LogD (pH 7.4): -0.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.23; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 30.93Ų; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 83.04 cm³; (14)Molar Volume: 236.7 cm³; (15)Polarizability: 32.92X10^-24cm³; (16)Surface Tension: 55.4 dyne/cm; (17)Enthalpy of Vaporization: 82.49 kJ/mol; (18)Boiling Point: 512.3 °C at 760 mmHg; (19)Vapour Pressure: 2.55E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](c1ccc(O)cc1)[C@@H](NCCc2ccc(O)cc2)C
(2)InChI: InChI=1/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
(3)InChIKey: IOVGROKTTNBUGK-SJCJKPOMBT
(4)Std. InChI: InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
(5)Std. InChIKey: IOVGROKTTNBUGK-SJCJKPOMSA-N