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도파민 하이드로클로라이드

Dopamine Hydrochloride

HCID 65340
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
62-31-7
표준 SMILES
Cl.NCCc1ccc(O)c(O)c1
InChIKey
CTENFNNZBMHDDG-UHFFFAOYSA-N
분자식
C8H12ClNO2
평균 분자량
189.64 g/mol
단동위원소 질량
189.0556563

개요

Dopamine hydrochloride is a catecholamine.

이름 및 식별자

우선 이름
Dopamine Hydrochloride
IUPAC
4-(2-aminoethyl)benzene-1,2-diol;hydrochloride
현지명
도파민 하이드로클로라이드
영어명
Dopamine hydrochloride
분자식
C8H12ClNO2
분자량
189.64

이름 및 동의어

Dopamine hydrochloride62-31-7Dopamine HClCardiosterilInotropin1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochlorideTensamin4-(2-Aminoethyl)pyrocatechol hydrochlorideASL-279DTXSID7020550NSC-169105Dopamini hydrochloridum
이름 더 보기
도파민수화염화물도파민하이드로클로라이드도파민수화염화물3-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

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

극성 표면적
66.5 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
12
형식 전하
0
복잡도
119

실험 및 물리화학적 성질

Human Drugs · 3건

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
248 · 248-250 °C(lit.)
밀도
1.4 g/cm3 · 1.4 g/cm3
인화점
11 ℃ · 11℃
저장 조건
30 °C · Store below +30°C.
용해도
20 mg/mL · 알코올: 20mg/mL
물리적 상태
결정성 분말
색상
베이지색
수용성
녹는
Merck
14 · 14,8462
BRN
3656720 · 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;1H
InChIKey
CTENFNNZBMHDDG-UHFFFAOYSA-N
SMILES
Cl[H].NCCc1ccc(O)c(O)c1
EPA
1 · 1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride (62-31-7)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Dopamine hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
UX1092000
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
독성
LD50 orally in Rabbit: 2859 mg/kg
HS 번호
29222900

화학 및 산업

약리 정보

FDA Pharmacological Classification · 6건

DOPAMINE HCI

Catecholamines [CS]; Catecholamine [EPC]

DOPAMINE HCI IN 5% DEXTROSE

Catecholamines [CS]; Catecholamine [EPC]

DOPAMINE HYDROCHLORIDE

Catecholamines [CS]; Catecholamine [EPC]

MeSH Pharmacological Classification · 3건

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.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >25
General Manufacturing Information1,2-Benzenediol, 4-(2-aminoethyl)-, hydrochloride (1:1): ACTIVE
응용 분야 · 4건

용도면역 기능 약제, 도파민 HCL.

개요Dopamine (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.

관련 반응

70건
반응 기록 만들기
HRID 5903 반응식
HRID 5903반응물로uspto-grants-1993_09
HRID 27145 반응식
HRID 27145반응물로uspto-grants-1980_09
HRID 27146 반응식
HRID 27146반응물로uspto-grants-1980_09
HRID 27147 반응식
HRID 27147반응물로uspto-grants-1980_09
HRID 27148 반응식
HRID 27148반응물로uspto-grants-1980_09
HRID 27149 반응식
HRID 27149반응물로uspto-grants-1980_09
HRID 27150 반응식
HRID 27150반응물로uspto-grants-1980_09
HRID 27151 반응식
HRID 27151반응물로uspto-grants-1980_09
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화학적 성질 · 1건

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.

risk_code
36/37/38-50/53-22-39/23/24/25-23/24/25-11
hazard_code
Xi,N,Xn,T,F
safety_code
26-36-61-45-36/37-16
기존화학 물질
KE-01355
F 고인화성물질
8-10-23
위험 참고 사항
Irritant
Hazard Classifications
Skin Sens. 1
스토리지 클래스
11 - Combustible Solids

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

일반 설명Dopamine 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 방법 · 1건

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%.

상·하류 제품 정보

상류 원료

이소 프로필 아세테이트

하류 제품

3-히드록시티라민 하이드로브로마이드테트라히드로파파베롤린1-카르복시살롤리놀2-프로펜아미드,N-[2-(3,4-디하이드록시페닐)에틸]-(9CI)