Terbutaline hemisulfate (23031-32-5)

The Terbutaline sulfate , with cas registry number of 23031-32-5, belongs to the categories of Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Pharmaceuticals. It has other registry number which is 98225-49-1. This chemical is also called Terbutaline hemisulfate ; 2-tert-Butylamino-1-(3,5-dihydroxyphenyl)ethanol hemisulfate . Its IUPAC name is called 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol; sulfuric acid . And its systematic name is bis{N-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-2-methylpropan-2-aminium} sulfate .

Physical properties of Terbutaline sulfate are: (1) ACD/LogP: 0.48 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): -2.54 ; (4) ACD/LogD (pH 7.4): -1.4 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 4 ; (10) #H bond donors: 4 ; (11) #Freely Rotating Bonds: 7 ; (12) Flash Point: 165.3 °C ; (13) Enthalpy of Vaporization: 70.94 kJ/mol ; (14) Boiling Point: 419.2 °C at 760 mmHg ; (15) Vapour Pressure: 8.92E-08 mmHg at 25°C.

Uses of Terbutaline sulfate : this chemical has been used as a drug. It is a selective beta-2 adrenergic agonist. It is mainly used as a bronchodilator curing bronchial asthma, chronic bronchitis, emphysema and other lung diseases caused by bronchial spasm. In addition, it is also used as a tocolytic to delay premature labour.

When you are using this chemical, please be cautious about it as the following:
As a chemical, Terbutaline sulfate may cause sensitization by inhalation and skin contact and has a possible risk of harm to the unborn child. Wear suitable protective clothing, when use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After use it, keep container tightly closed. And keep it in a cool, well-ventilated place.

You can still convert the following datas into molecular structure:
(1) SMILES:[O-]S([O-])(=O)=O.Oc1cc(cc(O)c1)C(O)C[NH2+]C(C)(C)C.OC(c1cc(O)cc(O)c1)C[NH2+]C(C)(C)C;
(2) InChI:InChI=1/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4) ;
(3) InChIKey:KFVSLSTULZVNPG-UHFFFAOYAM

The toxicity data is as follows: