Noradenalone hydrochloride
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Basic information
- CAS
5090-29-9- Standard SMILES
Cl.NCC(=O)c1ccc(O)c(O)c1- InChIKey
ILTXTELYZNIJHL-UHFFFAOYSA-N- Molecular formula
- C8H10ClNO3
- Average molar mass
- 203.62 g/mol
- Monoisotopic mass
- 203.03492086
Names & identifiers
- Preferred name
- Noradenalone hydrochloride
- IUPAC
- 2-amino-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride
- English name
- 3,4-dihydroxy-α-aminoacetophenone hydrochloride
- Molecular formula
- C8H10ClNO3
- Molecular weight
- 203.6229
Names & synonyms
5090-29-9Noradenalone hydrochlorideDTXSID30198929RefChem:1092569DTXCID401214202-Amino-1-(3,4-dihydroxyphenyl)ethanone hydrochloride2-amino-1-(3,4-dihydroxyphenyl)ethanone,hydrochloride2-Amino-1-(3,4-dihydroxyphenyl)ethan-1-one hydrochlorideEthanone, 2-amino-1-(3,4-dihydroxyphenyl)-, hydrochloride2-amino-1-(3,4-dihydroxyphenyl)ethanone;hydrochlorideMFCD005226922-Amino-1-(3,4-dihydroxyphenyl)ethanone hydrochloride (Noradrenaline Impurity)
Show more names
Noradrenalone HydrochlorideNoradrenalone HClNORADRENALINE IMPURITY BNorepinephrine Impurity 1Carbazochrome Impurity 23NORADRENALONE HYDROCHLORIDYLNoradrenaline EP Impurity B HClSodium carbalosulfonate impurity 23
Noradrenalone-d5 HydrochlorideNorepinephrine EP Impurity B HClNorepinephrine EPImpurityB3,4-dihydroxy-|A-aminoacetophenone hydrochlorideorb3181224SCHEMBL7146837SCHEMBL31534576FAA09029
Database identifiers
- CAS
5090-29-9- PubChem CID
- 199831
- DTXSID
DTXSID30198929
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 255 °C · 255 °C
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly, Heated), Water (Very Slightly, Heated)
- form
- Solid
- color
- Dark Yellow to Dark Brown
- InChI
- InChI=1S/C8H9NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,10-11H,4,9H2;1H
- InChIKey
- ILTXTELYZNIJHL-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(O)C(O)=C1)CN.[H]Cl
Chemistry & industry
Applications
UsesNoradrenalone Hydrochloride is an intermediate of Norepinephrine (N674500), an antagonist of dibutyryl cyclic AMP in the regulation of narcosis. Norepinephrine modulates human dendritic cell activation by altering cytokine release.
Preparation methods
PreparationPreparation by demethylation of a-amino-3,4-dimethoxy-acetophenone on heating with 37% hydrochloric acid for 2.5 h at 160–165° under carbon dioxide (85%).
Related reactions
3 records
Compound notes
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