Basic information
- CAS
16899-81-3- Standard SMILES
CC(C)[NH2+]CC(=O)c1ccc(O)c(O)c1.[Cl-]- InChIKey
IUNGEEAXDFWWSQ-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO3
- Average molar mass
- 245.7 g/mol
- Monoisotopic mass
- 245.0818711
Overview
See also: Isoproterenone hydrochloride (preferred).
Names & identifiers
- Preferred name
- 3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride
- IUPAC
- [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-propan-2-ylazanium chloride
- English name
- 1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino] hydrochloride
- Molecular formula
- C11H15NO3.ClH
- Molecular weight
- 245.704
Names & synonyms
3',4'-Dihydroxy-2-(isopropylamino)acetophenone hydrochloride[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-propan-2-ylazanium;chlorideU 12969AEINECS 240-943-7NSC 236233,4-Dihydroxy-alpha-(isopropylamino)acetophenone hydrochlorideUNII-X4JS3SRV5YEthanone, 1-(3,4-dihydroxyphenyl)-2-((1-methylethyl)amino)-, hydrochlorideU 12844AIsoprenaline impurity ANorepinephrine Impurity 10Isoprenaline EP Impurity A
Show more names
Isoprenaline impurity A CRSIsoprenaline EP Impurity A HClIsoprenaline HCl EP Impurity AIsoprenaline HCl EP Impurity A HClIsoprenaline impurity 1 (hydrochloride)Isoprenaline hydrochloride EP Impurity A
Database identifiers
- CAS
16899-81-3
Properties
Computed structural properties
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 255 · 255-257℃
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- FDA UNII
- 4 JS3SRV5Y · X4JS3SRV5Y
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
Uses1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]-ethanone is an impurity of Isoprenaline (I874200, HCl salt) which is non-selective beta-adrenergic agonist. Isoprenaline is used in the treatment of bradycardia.
Preparation methods
PreparationObtained by condensation of a-chloro-3,4- dihydroxy-acetophenone with isopropylamine in isopropanol at 65–70°. The amino ketone which separated was treated with concentrated hydrochloric acid (54%), (46%).
Upstream & downstream products
Upstream raw materials
Suppliers52 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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