オキシドパミン

6-Hydroxydopamine

HCID 4624CAS 1199-18-4

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

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
名称をさらに表示
オキシドパミンヒドロキシドーパミン5-(2-アミノエチル)-1,2,4-ベンゼントリオール6-ヒドロキシドーパミン2,4,5-トリヒドロキシフェネチルアミン5-(2-アミノエチル)ベンゼン-1,2,4-トリオール6-ヒドロキシドパミン2-(2,4,5-トリヒドロキシフェニル)エタンアミントーパミンオキシドーパミンD016627Oxidopamine hydrobromideHydrobromide, oxidopamine
CHEBI:78741NSC2338986 HydroxydopamineRefChem:857156Hydrochloride, OxidopamineDTXCID8016768214-842-3Topamine

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

実験および物理化学的性質

Melting Point232 °C
Physical Description · 2 件

6-hydroxydopamine is a solid. Used as a pharmacological agent.

Solid

Collision Cross Section · 2 件

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

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 · 1 件

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.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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) · 1 件

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 · 2 件

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

応用分野

使用Adrenergic (ophthalmic).

一般的な説明Solid. Used as a pharmacological agent.

サプライヤー5 社

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]
補足説明 · 1 件

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

2 件

関連ノート

読み込み中…