Basic information
- CAS
51-30-9- Standard SMILES
CC(C)[NH2+]CC(O)c1ccc(O)c(O)c1.[Cl-]- InChIKey
IROWCYIEJAOFOW-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO3
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.0975211
Overview
See also: (+-)-Isoproterenol hydrochloride (preferred).
Names & identifiers
- Preferred name
- [2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-propan-2-ylazanium;chloride
- IUPAC
- [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-propan-2-ylazanium chloride
- English name
- Isoprenaline hydrochloride
- Molecular formula
- C11H18ClNO3
- Molecular weight
- 247.72
Names & synonyms
[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-propan-2-ylazanium;chlorideISOPROTERENOL HYDROCHLORIDEISOPRENALINE HCLisuprelIsovonIsomenylMistareleuspiranisadrineProternoproternol
Database identifiers
- CAS
51-30-9- PubChem CID
- 13701
Properties
Computed structural properties
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 165 · 165-175 °C (dec.)(lit.)
- Boiling point
- 192 °C · 192°C (rough estimate)
- Density
- 1.2296 · 1.2296 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Freely soluble in water, sparingly soluble in ethanol (96 per cent), practically insoluble in methylene chloride.
- form
- White solid
- color
- White to Off-White
- Water Solubility
- Soluble
- BRN
- 3917363 · 3917363
- Stability
- Stable, but may be air and light sensitive. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H
- InChIKey
- IROWCYIEJAOFOW-UHFFFAOYSA-N
- SMILES
- C1(=CC=C(O)C(O)=C1)C(O)CNC(C)C.Cl
- CAS DataBase Reference
- 51 · 51-30-9(CAS DataBase Reference)
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
- F
- 3-8-10
- wgk
- 2
- rtecs
- DO1925000
- hs_code
- 29225090
- Toxicity
- LD50 oral in rabbit: 3070mg/kg
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H303-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
DescriptionIsoprenaline hydrochloride is an FDA-approved injectable drug that is the hydrochloride form of isoprenaline and is used as a bronchodilator, adrenergic beta agonist, cardiotonic, and sympathomimetic. Selective beta-adrenergic agonist that increases cytoplasmic cAMP. promotes glycogenolysis and causes bronchodilation. Increases Cl- diffusion and potential difference in rabbit tracheal cells via nitric oxide production. In addition, it can be used as an inducer in an experimental rat model of induced myocardial infarction[1].
UsesIsoproterenol is a non-selective beta-adrenergic agonist. Isoproterenol is used in the treatment of bradycardia; bronchodilator.
UsesIsoproterenol hydrochloride is used as a selective β-adrenergic agonist, increases cytosolic cAMP.
General DescriptionIsoproterenol hydrochloride is an odorless white crystalline powder. Slightly bitter taste. Aqueous solutions turn brownish-pink upon prolonged exposure to air. (NTP, 1992)
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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