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Albuterol sulfate

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Name

Albuterol sulfate

EINECS 256-916-8
CAS No. 51022-70-9 Density N/A
PSA 155.70000 LogP 2.12490
Solubility soluble in water Melting Point 180 °C
Formula 2(C13H21NO3).H2O4S Boiling Point 433.5 °C at 760 mmHg
Molecular Weight 576.709 Flash Point 159.5 °C
Transport Information N/A Appearance white crystalline solid
Safety 36/37 Risk Codes 43
Molecular Structure Molecular Structure of 51022-70-9 (Albuterol sulfate) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

.alpha.1-[(tert-Butylamino)methyl]-4-hydroxy-m-xylene-.alpha., .alpha.-diol sulfate (2:1) salt;Bronchospray;(+-)-Salbutamol sulfate;Albuterol sulfate (USP);1-(4-Hydroxy-3-hydroxymethylphenyl)-2-(tert-butylamino)ethanol sulfate;Loftan;Epaq;1,3-Benzenedimethanol, alpha1-(((1,1-dimethylethyl)amino)methyl)-4-hydroxy-, sulfate (2:1) (salt) (9CI);Ventolin HFA;Emican;Salbutamol hemisulfate;Broncho Inhalat;Huma-Salmol;Albuterol sulfate / Salbutamol sulfate;

Article Data 2

Albuterol sulfate Specification

The IUPAC name of Albuterol sulfate is 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; sulfuric acid. With the CAS registry number 51022-70-9, it is also named as Salbutamol sulfate. The product's categories are All Inhibitors; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; Adrenoceptor, and the other registry number is 36519-31-0. Besides, it is white crystalline solid, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is 2(C13H21NO3).H2O4S and molecular weight is 576.70.

Physical properties about Albuterol sulfate are: (1)EINECS: 256-916-8; (2)ACD/LogP: 0.02; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.01; (5)ACD/LogD (pH 7.4): -1.87; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 4; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 8; (13)Polar Surface Area: 30.93 Å2; (14)Flash Point: 159.5 °C; (15)Melting Point: 180 °C; (16)Enthalpy of Vaporization: 72.67 kJ/mol; (17)Boiling Point: 433.5 °C at 760 mmHg; (18)Vapour Pressure: 2.78E-08 mmHg at 25 °C.

Uses of Albuterol sulfate: this chemical is non-selective β -adrenergic agonist. And it is more potent at β 2 than β 1 receptors. Moreover, it is used for the treatment of bronchial asthma, asthmatic bronchitis, pulmonary emphysema.

When you are using this chemical, please be cautious about it as the following: it may cause sensitization by skin contact. You should wear suitable protective clothing and gloves. 

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.OCc1cc(ccc1O)C(O)CNC(C)(C)C.OC(c1ccc(O)c(c1)CO)CNC(C)(C)C
(2)InChI: InChI=1/2C13H21NO3.H2O4S/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h2*4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)
(3)InChIKey: BNPSSFBOAGDEEL-UHFFFAOYAS

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 40, Pg. 42, 1977.
mouse LD50 intravenous 48700ug/kg (48.7mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 2, Pg. 128, 1971.
mouse LD50 oral 1950mg/kg (1950mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 40, Pg. 42, 1977.
mouse LD50 subcutaneous 737mg/kg (737mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 2, Pg. 128, 1971.
rat LD50 intraperitoneal 295mg/kg (295mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 2, Pg. 128, 1971.
rat LD50 intravenous 59100ug/kg (59.1mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 2, Pg. 128, 1971.
rat LD50 oral > 2500mg/kg (2500mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 2, Pg. 128, 1971.
rat LD50 subcutaneous > 2500mg/kg (2500mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 2, Pg. 128, 1971.

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