1-(4-Amino-3,5-dichlorophenyl)-2-[(tert-butyl)amino]ethan-1-ol, chloride
Basic information
- CAS
21898-19-1- Standard SMILES
CC(C)(C)[NH2+]CC(O)c1cc(Cl)c(N)c(Cl)c1.[Cl-]- InChIKey
OPXKTCUYRHXSBK-UHFFFAOYSA-N- Molecular formula
- C12H19Cl3N2O
- Average molar mass
- 313.6 g/mol
- Monoisotopic mass
- 312.056296
Overview
See also: Clenbuterol Hydrochloride (preferred); Clenbuterol (has active moiety).
Names & identifiers
- Preferred name
- 1-(4-Amino-3,5-dichlorophenyl)-2-[(tert-butyl)amino]ethan-1-ol, chloride
- IUPAC
- [2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride
- English name
- Clenbuterol hydrochloride
- Molecular formula
- C12H19Cl3N2O
- Molecular weight
- 313.65
Names & synonyms
AKOS024362791ST509938891-(4-amino-3,5-dichlorophenyl)-2-[(tert-butyl)amino]ethan-1-ol, chlorideCLENBUTEROL HCLHydroxyiminenab365spiropentmeat powderClenbuterol solutionAlvaprolNAB 365CLVentipulmi
Show more names
Hydroxyyan
Database identifiers
- CAS
21898-19-1- PubChem CID
- 30849
Properties
Computed structural properties
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Physicochemical properties
- Melting point
- 174 · 174-175.5°C
- Flash point
- 9 ℃ · 9℃
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in water and in ethanol (96 per cent), slightly soluble in acetone.
- form
- Solid
- color
- White to off-white
- Merck
- 14 · 14,2347
- 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
- InChIKey
- OPXKTCUYRHXSBK-UHFFFAOYSA-N
- SMILES
- Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
- CAS DataBase Reference
- 21898 · 21898-19-1(CAS DataBase Reference)
- FDA UNII
- 5747 GWU · GOR5747GWU
- UNSPSC Code
- 41116107 · 41116107
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- DN3180000
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29221990
- Toxicity
- LD50 in mice, rats, guinea pigs (mg/kg): 176, 315, 67.1 orally; 27.6, 35.3, 12.6 i.v. (Ueberberg)
- risk_code
- 25-39/23/24/25-23/24/25-11
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- T,F
- safety_code
- 22-36/37/39-45-36/37-16
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H351-H360FD
- Hazard Classifications
- Carc. 2Repr. 1B
- Precautionary statements
- P201-P308+P313
Chemistry & industry
Applications
UsesClenbuterol hydrochloride can be used for the prevention and treatment of bronchial asthma, chronic bronchitis, emphysema-accompanied bronchial spasms caused by bronchitis.Clenbuterol hydrochloride is a kind of β2-adrenergic receptor agonists and can be used as bronchodilators.
UsesBronchodilatator;Beta adrenergic agonist
UsesSubstituted phenylethanolamine with β2 sympathomimetic activity. Bronchodilator. A β-Agonist which can be used as a growth promoter in farm animals.
Usesdecongestant bronchodilator
UsesAntiasthmatic
UsesSubstituted phenylethanolamine with 2 sympathomimetic activity. Bronchodilator
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionClenbuterol hydrochloride is a hydrochloride that is the monohydrochloride salt of clenbuterol.
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Compound notes
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