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Clenbuterol hydrochloride

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Name

Clenbuterol hydrochloride

EINECS 244-643-7
CAS No. 21898-19-1 Density 1.25g/cm3
PSA 58.28000 LogP 4.77120
Solubility N/A Melting Point 174-175.5 °C
Formula C12H18Cl2N2O.HCl Boiling Point 404.9 °C at 760 mmHg
Molecular Weight 313.655 Flash Point 198.7 °C
Transport Information UN 2811 6.1/PG 3 Appearance Colourless microcrystalline powder
Safety 22-36/37/39-45 Risk Codes 25
Molecular Structure Molecular Structure of 21898-19-1 (Clenbuterol hydrochloride) Hazard Symbols ToxicT
Synonyms

Benzenemethanol,4-amino-3,5-dichloro-a-[[(1,1-dimethylethyl)amino]methyl]-, hydrochloride (1:1);Benzenemethanol,4-amino-3,5-dichloro-a-[[(1,1-dimethylethyl)amino]methyl]-, monohydrochloride (9CI);Benzylalcohol, 4-amino-a-[(tert-butylamino)methyl]-3,5-dichloro-,monohydrochloride (8CI);1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol hydrochloride;4-Amino-a-(tert-butylaminomethyl)-3,5-dichlorobenzylalcohol monohydrochloride;Clenasma;NAB 365;NAB365Cl;Spiropent;Ventipulmin;

Article Data 3

Clenbuterol hydrochloride Specification

The Clenbuterol hydrochloride, with the CAS registry number 21898-19-1, is also known as N-[2-(4-Amino-3,5-dichlorophenyl)-2-hydroxyethyl]-2-methyl-2-propanaminium chloride. It belongs to the product categories of Active Pharmaceutical Ingredients; Intermediates & Fine Chemicals; Pharmaceuticals; Adrenoceptor; Amines; Aromatics. Its EINECS registry number is 244-643-7. This chemical's molecular formula is C12H19Cl3N2O and molecular weight is 313.65. What's more, its IUPAC name is called 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol hydrochloride. It should be stored in a cool, dry and well-ventilated place. Clenbuterol hydrochloride is for the prevention and treatment of bronchial asthma, chronic bronchitis and emphysema with bronchitis, bronchitis caused by spasm.

Physical properties about Clenbuterol hydrochloride are: (1)ACD/LogP: 2.612; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 16.94; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å2; (13)Flash Point: 198.7 °C; (14)Enthalpy of Vaporization: 69.22 kJ/mol; (15)Boiling Point: 404.9 °C at 760 mmHg; (16)Vapour Pressure: 2.77E-07 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical cause damage to health at low levels. It is toxic if swallowed. The gas can not be breathed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell you should seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].Clc1cc(cc(Cl)c1N)C(O)C[NH2+]C(C)(C)C
(2) InChI: InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H
(3) InChIKey: OPXKTCUYRHXSBK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 45mg/kg (45mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1420, 1976.
dog LDLo oral 500mg/kg (500mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1420, 1976.
guinea pig LD50 intravenous 12600ug/kg (12.6mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1420, 1976.
guinea pig LD50 subcutaneous 67100ug/kg (67.1mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1420, 1976.
mouse LD50 intraperitoneal 46mg/kg (46mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

CARDIAC: CHANGE IN RATE
Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 675, 1975.
mouse LD50 intravenous 27600ug/kg (27.6mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1420, 1976.
mouse LD50 oral 147mg/kg (147mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 741, 1984.
mouse LD50 subcutaneous 63mg/kg (63mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 741, 1984.
rabbit LD50 intravenous 12600ug/kg (12.6mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1404, 1976.
rabbit LD50 subcutaneous 67100ug/kg (67.1mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1404, 1976.
rat LD50 intraperitoneal 67mg/kg (67mg/kg) CARDIAC: CHANGE IN RATE

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 675, 1975.
rat LD50 intravenous 35300ug/kg (35.3mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1420, 1976.
rat LD50 oral 159mg/kg (159mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 741, 1984.
rat LD50 subcutaneous 148mg/kg (148mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 741, 1984.