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ドーパミン塩酸塩

Dopamine Hydrochloride

HCID 65340
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
62-31-7
標準SMILES
Cl.NCCc1ccc(O)c(O)c1
InChIKey
CTENFNNZBMHDDG-UHFFFAOYSA-N
分子式
C8H12ClNO2
平均分子量
189.64 g/mol
単同位体質量
189.0556563

概要

Dopamine hydrochloride is a catecholamine.

名称と識別子

優先名称
Dopamine Hydrochloride
IUPAC
4-(2-aminoethyl)benzene-1,2-diol;hydrochloride
現地名
ドーパミン塩酸塩
英語名
Dopamine hydrochloride
分子式
C8H12ClNO2
分子量
189.64

名称と別名

Dopamine hydrochloride62-31-7Dopamine HClCardiosterilInotropin1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochlorideTensamin4-(2-Aminoethyl)pyrocatechol hydrochlorideASL-279DTXSID7020550NSC-169105Dopamini hydrochloridum
名称をさらに表示
3-ヒドロキシチラミン 塩酸塩カタボン-Lowマートバーン4-(2-アミノエチル)ピロカテコール塩酸塩ツルドパミ3,4-ジヒドロキシフェネチルアミン塩酸塩カコージン-Dドパラルミンドパスタットドパミン塩酸塩ドミニンイノバンプレドパクリトパン3,4-ジヒドロキシベンゼンエタンアミン·塩酸塩3-ヒドロキシチラミン·塩酸トロンジン3-ヒドロキシチラミン塩酸塩ドーパミン·塩酸塩アクトパミン3-HYDROXYTYRAMINE HYDROCHLORIDE2-benzenediol,4-(2-aminoethyl)-hydrochloride2-(3,4-DIHYDROXYPHENYL)ETHYLAMINE HYDROCHLORIDEintropinDopamin HclDopamine HCIdopaminechloride
7L3E358N9LDopamine hydrochloride in dextrose 5%Dopamine hydrochloride and dextrose 5%DTXCID50550Dopamine hydrochloride in dextrose 5% in plastic containerDopamine hydrochloride and dextrose 5% in plastic containerNSC173182Dopaminergic

データベース識別子

CAS
62-31-7
PubChem CID
65340
DTXSID
DTXSID7020550
ChEMBL
CHEMBL1557
ChEBI
CHEBI:4698
UNII
7L3E358N9L
EC Number
200-527-8

物性

構造計算による物性補完中

極性表面積
66.5 Ų
水素結合供与体数
4
水素結合受容体数
3
回転可能結合数
2
重原子数
12
形式電荷
0
複雑度
119

実験および物理化学的性質

Human Drugs · 3 件

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

物理化学的性質

融点
248 · 248-250 °C(lit.)
比重(密度)
1.4 g/cm3 · 1.4 g/cm3
闪点
11 ℃ · 11℃
貯蔵温度
30 °C · Store below +30°C.
溶解性
20 mg/mL · アルコール:20mg/mL
外見
結晶性粉末
色
薄い日焼け
水溶解度
溶ける
Merck
14 · 14,8462
BRN
3656720 · 3656720
安定性
安定。強力な酸化剤とは相容れない。可燃性。
主な用途
医薬品(低分子化合物)
InChI
1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6;/h1-2,5,10-11H,3-4,9H2;1H
InChIKey
CTENFNNZBMHDDG-UHFFFAOYSA-N
SMILES
Cl[H].NCCc1ccc(O)c(O)c1
CAS データベース
62 · 62-31-7(CAS DataBase Reference)
EPAの化学物質情報
1 · 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride (62-31-7)
化学的性質 · 1 件

化学的特性Dopamine hydrochloride is designated chemically as 3,4-dihydroxyphenethylamine hydrochloride, a white crystalline powder freely soluble in water. It can also be dissolved in hot 95% ethanol, methanol, and sodium hydroxide solution. However, it is insoluble in chloroform, ether, and benzene. It has no odor and a slightly bitter taste. Dopamine (also referred to as 3-hydroxytyramine) is a naturally occurring biochemical catecholamine precursor of norepinephrine.

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Warning

H302 (84.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationDopamine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (84.3%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Dopamine hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

安全データ

F
8-10-23
wgk
2
tsca
TSCA listed
rtecs
UX1092000
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
毒性
LD50 orally in Rabbit: 2859 mg/kg
hs_code
29222900
risk_code
36/37/38-50/53-22-39/23/24/25-23/24/25-11
化審法
(3)-2870
hazard_code
Xi,N,Xn,T,F
hazard_note
Irritant
safety_code
26-36-61-45-36/37-16
Hazard Classifications
Skin Sens. 1
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

FDA Pharmacological Classification · 6 件

DOPAMINE HCI

Catecholamines [CS]; Catecholamine [EPC]

DOPAMINE HCI IN 5% DEXTROSE

Catecholamines [CS]; Catecholamine [EPC]

DOPAMINE HYDROCHLORIDE

Catecholamines [CS]; Catecholamine [EPC]

MeSH Pharmacological Classification · 3 件

Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).

Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.

Any drugs that are used for their effects on dopamine receptors, on the life cycle of dopamine, or on the survival of dopaminergic neurons.

用途と製造

UsesUse (kg; approx.) in Germany (2009): >25
General Manufacturing Information1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride (1:1): ACTIVE
応用分野 · 5 件

用途生理、薬離作用研究用。

用途β1 受容体刺激によるアデニ ル酸シクラーゼ活性化作用を示します。

説明Dopamine (hydrochloride) is an endogenous catecholamine neurotransmitter synthesized from the amino acid L-tyrosine that acts as an agonist at dopamine receptors (D1-5). Dopamine is mainly synthesized in the substantia nigra and ventral tegmental area, and is a precursor in norepinephrine and epinephrine biosynthesis. Dopamine-containing neurons in the brain are involved in reward-motivated behavior, motor control, and hormone release. Dopamine is also synthesized in the adrenal glands where it exerts peripheral paracrine functions including control of vasodilation, sodium excretion, insulin production, gastrointestinal motility, and the activity of lymphocytes. Loss or damage of dopaminergic neurons in the substantia nigra is associated with Parkinson’s disease.

使用Endogenous catecholamine with α and β-adrenergic activity. Cardiotonic; antihypotensive.

一般的な説明Dopamine Hydrochloride is the hydrochloride salt form of dopamine, a monoamine compound with positive inotropic activity. Dopamine is a neurotransmitter which is a naturally occurring catecholamine. Dopamine hydrochloride salt is indicated as a medicine for the treatment of acute congestive and renal failures.

調製方法 · 1 件

製造方法Dopamine hydrochloride is produced through the ring-opening reaction of piperonyl ethylamine. Piperethylamine and phenol are added to a reaction vessel and cooled down. Hydrochloric acid is slowly added while heating up the mixture to 110°C, and refluxed for 12-44 hours until the reaction reaches completion. The solution is then slightly cooled and water is added, and the mixture is stirred well and allowed to separate into layers. The upper phenolic layer is then removed, and the aqueous layer is extracted with isopropyl acetate. The extracted aqueous layer is then evaporated under reduced pressure (8.0kPa) until dry. Half the amount of ethanol and hydrochloric acid are added to the dry residue and heated to dissolve. The solution is then cooled, crystallized, and filtered. The filter cake is washed with ethanol and dried to obtain the final product, with a yield of 74%.

上流・下流製品情報

上流原料

酢酸イソプロピル

下流製品

3,4-ジヒドロキシフェニルエチルアミン1-(3,4-ジヒドロキシベンジル)-1,2,3,4-テトラヒドロイソキノリン-6,7-ジオール1-carboxysalsolinol2-Propenamide, N-[2-(3,4-dihydroxyphenyl)ethyl]- (9CI)

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HRID 27150 の反応式
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HRID 27151 の反応式
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