CAS No.23031-25-6,5-(1-Hydroxy-2-tert-butylamino-ethyl)benzene-1,3-diol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	23031-25-6
Name:	5-(1-Hydroxy-2-tert-butylamino-ethyl)benzene-1,3-diol
Article Data:	13

Formula:	C₁₂H₁₉NO₃
Molecular Weight:	225.288
Synonyms:	Benzylalcohol, a-[(tert-butylamino)methyl]-3,5-dihydroxy-(8CI);(?à)-Terbutaline;1-(3,5-Dihydroxyphenyl)-2-(tert-butylamino)ethanol;Aerodur;Brican;Bricar;Bricaril;Bricyn;Fasma;Terbutalin;
EINECS:	245-385-8
Density:	1.171 g/cm³
Melting Point:	204-208°C
Boiling Point:	419.2 °C at 760 mmHg
Flash Point:	165.3 °C
Transport Information:	UN 3077 9
PSA:	72.72000
LogP:	1.91020

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Chemistry

Molecular Structure of Terbutaline (CAS NO.23031-25-6):

IUPAC Name: 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol
CAS: 23031-25-6
Molecular Formula: C₁₂H₁₉NO₃
Molecular Weight: 225.28
EINECS: 245-385-8
H bond acceptors: 4
H bond donors: 4
Freely Rotating Bonds: 7
Polar Surface Area: 30.93 Å²
Molar Refractivity: 63.19 cm³
Molar Volume: 192.2 cm³
Surface Tension: 50 dyne/cm
Density: 1.171 g/cm³
Flash Point: 165.3 °C
Enthalpy of Vaporization: 70.94 kJ/mol
Boiling Point: 419.2 °C at 760 mmHg
Vapour Pressure: 8.92E-08 mmHg at 25°C
InChI
InChI=1/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3
Smiles
C(NC[C@@H](c1cc(cc(c1)O)O)O)(C)(C)C
Classification Code: Adrenergic Agents; Adrenergic Agonists; Adrenergic beta-agonists; Anti-Asthmatic Agents; Autonomic Agents; Bronchodilator agents; Drug / Therapeutic Agent; Human Data; Neurotransmitter Agents; Peripheral Nervous System Agents; Reproductive Control Agents; Reproductive Effect; Respiratory System Agents; Sympathomimetics; Tocolytic agents

History

Terbutaline (CAS NO.23031-25-6) is used as a treatment for premature labour is an off-label use not approved by the FAD. It is apregnancy category 'B' medication and is routinely prescribed to stop contractions. Terbutaline (CAS NO.23031-25-6) is currently on the World Anti-Doping Agency's list of prohibited drugs for Olympic athletes, except when administered by inhalation and a Therapeutic Use Exemption (TUE) has been obtained in advance.Orally disintegrating tablets by sublimation technique of Terbutaline sulphate have been developed.

Uses

Terbutaline (CAS NO.23031-25-6) (trade names Brethine, Bricanyl, or Brethaire) is a β2-adrenergic receptor agonist, used as a fast-acting bronchodilator (often used as a short-term asthma treatment) and as a tocolytic to delay premature labour. The inhaled form of terbutaline starts working within 15 minutes and can last up to 6 hours .

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	714ug/kg (0.714mg/kg)	BEHAVIORAL: TREMOR CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) CARDIAC: CHANGE IN RATE	New England Journal of Medicine. Vol. 300, Pg. 143, 1979.
women	TDLo	multiple routes	380ug/kg (0.38mg/kg)	CARDIAC: OTHER CHANGES	JAMA, Journal of the American Medical Association. Vol. 244, Pg. 692, 1980.

Specification

Terbutaline , with CAS number of 23031-25-6, can be called 5-(1-Hydroxy-2-tert-butylamino-ethyl)benzene-1,3-diol ; Terbutaline;(R)-α-[(tert-Butylamino)methyl]-3,5-dihydroxybenzyl alcohol ; (S)-α-[(tert-Butylamino)methyl]-3,5-dihydroxybenzyl alcohol ; 5-[(S)-1-Hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol ; rac-5-[(R*)-2-[(1,1-Dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol .