기본 정보
- 표준 SMILES
Cl.NCCc1cc(O)c(O)cc1O- InChIKey
QLMRJHFAGVFUAC-UHFFFAOYSA-N- 분자식
- C8H12ClNO3
- 평균 분자량
- 205.64 g/mol
- 단동위원소 질량
- 205.0505709
이름 및 식별자
- 우선 이름
- 6-Hydroxydopamine hydrochloride
- IUPAC
- 5-(2-aminoethyl)benzene-1,2,4-triol;hydrochloride
- 현지명
- 6-히드록시도파민 염화수소산염
- 영어명
- 6-Hydroxydopamine hydrochloride
- 분자식
- C8H12ClNO3
- 분자량
- 205.64
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
28094-15-7- PubChem CID
- 160157
- DTXSID
DTXSID0045838- ChEMBL
CHEMBL451197- ChEBI
CHEBI:232990- UNII
- 9WBV30HXTL
- EC Number
- 248-837-2
물성
구조 계산 물성
- 극성 표면적
- 86.7 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 142
실험 및 물리화학적 성질
Physical Description
6-hydroxydopamine hydrochloride is a beige solid. (NTP, 1992)
Beige hygroscopic solid; [CAMEO] Light brown powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 232 · 232-233 °C (dec.)(lit.)
- 저장 조건
- room temp
- 용해도
- 2 O: · H2O: >50 mg/mL, 투명, 노란색~갈색
- 물리적 상태
- 가루
- 색상
- 황백색에서 갈색까지
- 수용성
- 2 O: · H2O: >50mg/mL, clear, yellow to brown
- BRN
- 4274007 · 4274007
- InChI
- InChI=1S/C8H11NO3.ClH/c9-2-1-5-3-7(11)8(12)4-6(5)10;/h3-4,10-12H,1-2,9H2;1H
- InChIKey
- QLMRJHFAGVFUAC-UHFFFAOYSA-N
- SMILES
- C1(CCN)=CC(=C(O)C=C1O)O.Cl
- EPA
- 6 · 6-Hydroxydopamine hydrochloride (28094-15-7)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Reactivity Profile
A weak acid. Materials in this group are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions.
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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
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)
독성 정보
안전 데이터
- wgk
- 3
- rtecs
- DC4650000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 3-8-10-23
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
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.
용도 및 제조
응용 분야
개요6-Hydroxydopamine hydrochloride (6-OHDA) is a neurotoxin, commonly used to induce Parkinson′s disease (PD). 6-OHDA causes death of dopaminergic neurons in substantia nigra pars compacta progressively mimicking PD. 6-OHDA is highly oxidizable and cannot cross blood brain barrier. 6-OHDA exerts cytotoxicity by generating reactive oxygen species, initiating cellular stress and cell death. 6-OHDA leads to neuronal cell death in many in vitro models like primary neuronal culture, human neuroblastoma cell line and rat adrenal pheochromocytoma cell line, PC12.
용도6-hydroxydopamine hydrochloride has been used:to induce Parkinson′s disease (PD) in ratsto analyse cytotoxic effect of 6-OHDA on PC12 cell lineto induce noradrenergic (NA) neuron deletion from the locus-coeruleus
일반 설명Beige solid.
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