기본 정보
- 표준 SMILES
NCCc1cc(O)c(O)cc1O- InChIKey
DIVDFFZHCJEHGG-UHFFFAOYSA-N- 분자식
- C8H11NO3
- 평균 분자량
- 169.18 g/mol
- 단동위원소 질량
- 169.07389321
개요
6-hydroxydopamine is a solid. Used as a pharmacological agent.
이름 및 식별자
- 우선 이름
- 6-Hydroxydopamine
- IUPAC
- 5-(2-aminoethyl)benzene-1,2,4-triol
- 현지명
- 산화오파민
- 영어명
- oxidopamine
- 분자식
- C8H11NO3
- 분자량
- 169.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1199-18-4- PubChem CID
- 4624
- DTXSID
DTXSID0036768- ChEMBL
CHEMBL337702- ChEBI
CHEBI:78741- UNII
- 8HW4YBZ748
- EC Number
- 214-842-3
- Nikkaji
- J126K
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 86.7 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 142
실험 및 물리화학적 성질
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]+
물리화학적 성질
- 끓는 점
- 298.46 °C · 298.46°C (rough estimate)
- 밀도
- 1.2435 · 1.2435 (rough estimate)
- 굴절률
- 1.51 · 1.5100 (estimate)
- EPA
- 6 · 6-Hydroxydopamine (1199-18-4)
안전 및 규제
유해성 정보
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.
안전 및 보호
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)
화학 및 산업
약리 정보
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.
응용 분야
용도Adrenergic (ophthalmic).
일반 설명Solid. Used as a pharmacological agent.
상·하류 제품 정보
상류 원료
공급사5 곳
추가 설명
정의ChEBI: 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).
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