Basic information
- Standard SMILES
NCCc1cc(O)c(O)cc1O- InChIKey
DIVDFFZHCJEHGG-UHFFFAOYSA-N- Molecular formula
- C8H11NO3
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.07389321
Overview
6-hydroxydopamine is a solid. Used as a pharmacological agent.
Names & identifiers
- Preferred name
- 6-Hydroxydopamine
- IUPAC
- 5-(2-aminoethyl)benzene-1,2,4-triol
- English name
- oxidopamine
- Molecular formula
- C8H11NO3
- Molecular weight
- 169.18
Names & synonyms
oxidopamine6-HYDROXYDOPAMINE1199-18-45-(2-aminoethyl)benzene-1,2,4-triol2,4,5-TrihydroxyphenethylamineOxidopamina6-OHDAOxidopaminum5-(2-Aminoethyl)-1,2,4-benzenetriol1,2,4-Benzenetriol, 5-(2-aminoethyl)-8HW4YBZ748DTXSID0036768
Show more names
D016627Oxidopamine hydrobromideHydrobromide, oxidopamine
CHEBI:78741NSC2338986 HydroxydopamineRefChem:857156Hydrochloride, OxidopamineDTXCID8016768214-842-3Topamine
Database identifiers
- CAS
1199-18-4- PubChem CID
- 4624
- DTXSID
DTXSID0036768- ChEMBL
CHEMBL337702- ChEBI
CHEBI:78741- UNII
- 8HW4YBZ748
- EC Number
- 214-842-3
- Nikkaji
- J126K
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Experimental & physicochemical properties
Melting Point232 °C
Physical Description
6-hydroxydopamine is a solid. Used as a pharmacological agent.
Solid
Collision Cross Section
143 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
143.2 Ų [M+H]+
Physicochemical properties
- Boiling point
- 298.46 °C · 298.46°C (rough estimate)
- Density
- 1.2435 · 1.2435 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 HW4YBZ748 · 8HW4YBZ748
- EPA Substance Registry System
- 6 · 6-Hydroxydopamine (1199-18-4)
Safety & regulation
Hazard information
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this chemical may include a prolonged decomposition in catecholamine content of the heart (shown to be due to the destruction of sympathetic nerve endings). (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill ResponseSTORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that inhibit the actions of the sympathetic nervous system by any mechanism. The most common of these are the ADRENERGIC ANTAGONISTS and drugs that deplete norepinephrine or reduce the release of transmitters from adrenergic postganglionic terminals (see ADRENERGIC AGENTS). Drugs that act in the central nervous system to reduce sympathetic activity (e.g., centrally acting alpha-2 adrenergic agonists, see ADRENERGIC ALPHA-AGONISTS) are included here.
Drugs that act on adrenergic receptors or affect the life cycle of adrenergic transmitters. Included here are adrenergic agonists and antagonists and agents that affect the synthesis, storage, uptake, metabolism, or release of adrenergic transmitters.
Tissue LocationsAdrenal Medulla
Cellular LocationsCytoplasm
Applications
UsesAdrenergic (ophthalmic).
General DescriptionSolid. Used as a pharmacological agent.
Upstream & downstream products
Upstream raw materials
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Pa kinson's disease).
Related reactions
2 records
Linked notes
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