도파민 하이드로클로라이드
도파민수화염화물 · 도파민하이드로클로라이드 · DOPAMINE HYDROCHLORIDE · 3-HYDROXYTYRAMINE HYDROCHLORIDE · DOPAMINE HCL · 2-benzenediol,4-(2-aminoethyl)-hydrochloride · 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINE HYDROCHLORIDE · ASL-279
식별자 및 물리적 특성
| CAS No. | 62-31-7 |
|---|---|
| 분자식 | C8H12ClNO2 |
| 평균 분자량 | 189.64 g/mol |
| 단동위원소 질량 | 189.0556563 g/mol |
| SMILES | Cl.NCCc1ccc(O)c(O)c1 |
| InChIKey | CTENFNNZBMHDDG-UHFFFAOYSA-N |
| PubChem CID | 65340 |
| ChEMBL | CHEMBL1557 |
| ChEBI | CHEBI:4698 |
| EC No. | 200-527-8 |
| DTXSID | DTXSID7020550 |
| 현지명 | 도파민 하이드로클로라이드 |
화학 및 물리적 성질
| 극성 표면적 | 66.5 |
|---|---|
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 119 |
| Human Drugs | FDA approved drugs -> Active ingredientEMA approved medicines: Human medicine |
| 녹는점 | 248-250 °C(lit.) |
| 밀도 | 1.4 g/cm3 |
| 인화점 | 11℃ |
| 저장 조건 | Store below +30°C. |
| 용해도 | 알코올: 20mg/mL |
| 물리적 상태 | 결정성 분말 |
| 색상 | 베이지색 |
| 용해도 | 녹는 |
| Merck | 14,8462 |
| BRN | 3656720 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운. |
| 주요 응용 | 의약품(소분자) |
| InChI | 1S/C8H11NO2.ClH/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 |
| InChIKey | CTENFNNZBMHDDG-UHFFFAOYSA-N |
| SMILES | Cl[H].NCCc1ccc(O)c(O)c1 |
| EPA | 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride (62-31-7) |
화학적 성질
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.
안전 및 규제
| GHS 분류 | WarningH302 (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. |
|---|---|
| 규제 정보 | Dopamine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (84.3%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Dopamine hydrochloridevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | UX1092000 |
| 운송 번호(UN) | UN1230 - class 3 - PG 2 - Methanol, solution |
| 독성 | LD50 orally in Rabbit: 2859 mg/kg |
| 관세 코드 | 29222900 |
| 위험 문구(R) | 36/37/38-50/53-22-39/23/24/25-23/24/25-11 |
| 위험 표시 | Xi,N,Xn,T,F |
| 안전 문구(S) | 26-36-61-45-36/37-16 |
| 기존화학 물질 | KE-01355 |
| F 고인화성물질 | 8-10-23 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Skin Sens. 1 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
면역 기능 약제, 도파민 HCL.
개요
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.
용도
Endogenous catecholamine with α and β-adrenergic activity. Cardiotonic; antihypotensive.
일반 설명
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.
제조 및 합성 방법
제조 방법
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%.