基本情報
- 標準SMILES
NCCc1cc(O)c(O)cc1O- InChIKey
DIVDFFZHCJEHGG-UHFFFAOYSA-N- 分子式
- C8H11NO3
- 平均分子量
- 169.18 g/mol
- 単同位体質量
- 169.07389321
概要
6-hydroxydopamine is a solid. Used as a pharmacological agent.
名称と識別子
- 優先名称
- 6-Hydroxydopamine
- IUPAC
- 5-(2-aminoethyl)benzene-1,2,4-triol
- 現地名
- オキシドパミン
- 英語名
- oxidopamine
- 分子式
- C8H11NO3
- 分子量
- 169.18
名称と別名
名称をさらに表示
データベース識別子
- CAS
1199-18-4- PubChem CID
- 4624
- DTXSID
DTXSID0036768- ChEMBL
CHEMBL337702- ChEBI
CHEBI:78741- UNII
- 8HW4YBZ748
- EC Number
- 214-842-3
- Nikkaji
- J126K
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 86.7 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 142
実験および物理化学的性質
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]+
物理化学的性質
- 沸点
- 298.46 °C · 298.46°C (rough estimate)
- 比重(密度)
- 1.2435 · 1.2435 (rough estimate)
- 屈折率
- 1.51 · 1.5100 (estimate)
- EPAの化学物質情報
- 6 · 6-Hydroxydopamine (1199-18-4)
安全と法規制
危険有害性情報
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.
安全と保護具
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.
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)
化学と産業
薬理情報
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.
応用分野
使用Adrenergic (ophthalmic).
一般的な説明Solid. Used as a pharmacological agent.
上流・下流製品情報
上流原料
サプライヤー5 社
補足説明
定義ChEBI: 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).
関連反応
関連ノート
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