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Rotundine

HCID 5417
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2934-97-6
표준 SMILES
COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2
InChIKey
AEQDJSLRWYMAQI-UHFFFAOYSA-N
분자식
C21H25NO4
평균 분자량
355.4 g/mol
단동위원소 질량
355.17835828

개요

2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline is an alkaloid.

이름 및 식별자

우선 이름
Rotundine
IUPAC
2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
영어명
Tetrahydropalmatine
분자식
C21H25NO4
분자량
355.43

이름 및 동의어

RotundineRefChem:9309042934-97-610097-84-4ROTUNDINUMD,L-Tetrahydropalmatine2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolineTetrahydropalmatine, (+/-)-CHEMBL18789278F8583LNQ2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolineMFCD00214191
이름 더 보기
L-TETRAHYDROPALMATINEDL-TETRAHYDROPALMATINEAKOS 208-04ROTUNDIN HYDRATERotundine CP2000TetrahydropalmatineTETRAHYDROPALMITINERafoxanide Impurity 5Tetrahydropalmatine-RM
Tetrahydropalmatine, dl-2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolinePalmatine, Tetrahydro derivative of2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolineD-Tetrahydropalmatin; Rotundine; 5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo[a,g] quinolizineUNII-78F8583LNQRotundine [M+H]+(-)-Tetrahydropalmatine;L-Tetrahydropalmatine

데이터베이스 식별자

CAS
2934-97-6

물성

구조 계산 물성

XLogP
3.2
극성 표면적
40.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
26
형식 전하
0
복잡도
475

실험 및 물리화학적 성질

LogP2.6

물리화학적 성질

녹는점
155 ℃ · 155℃
끓는 점
482.9 · 482.9±45.0 °C(Predicted)
밀도
1.23 · 1.23±0.1 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨, 가열, 초음파 처리)
물리적 상태
고체
산도 계수 (pKa)
6.53 · 6.53±0.20(Predicted)
색상
흰색에서 연한 노란색

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (100%)

안전 데이터

HS 번호
29339900

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 6건

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

A class of drugs that act by selective inhibition of calcium influx through cellular membranes.

Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.

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

용도DL-Tetrahydropalmatine is the main active substance of the Chinese herb corydalis which induces hypotension and bradycardia in rats through the antagonism of striatal dopamine D2 receptor.

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
PubChem CID
5417
DTXSID
DTXSID20864207
ChEMBL
CHEMBL187892
ChEBI
CHEBI:91709
UNII
78F8583LNQ
EC Number
884-574-5
Nikkaji
J31.846I

상·하류 제품 정보

상류 원료

8H-Dibenzo[a,g]quinolizin-8-one, 5,6,13,13a-tetrahydro-2,3,9,10-tetramethoxy-Dihydropalmatine

공급사100 곳

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