기본 정보
- CAS
34661-75-1- 표준 SMILES
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1- InChIKey
ICMGLRUYEQNHPF-UHFFFAOYSA-N- 분자식
- C20H29N5O3
- 평균 분자량
- 387.5 g/mol
- 단동위원소 질량
- 387.2270398
개요
Urapidil is a member of piperazines.
이름 및 식별자
- 우선 이름
- Urapidil
- IUPAC
- 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
- 영어명
- 6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil
- 분자식
- C20H29N5O3
- 분자량
- 387.48
이름 및 동의어
urapidil34661-75-1EbrantilUrapidilumDTXSID9021425A78GF17HJSNSC-3104056-(3-(4-(o-Methoxyphenyl)-1-piperazinyl)propylamino)-1,3-dimethyluracil6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedioneDTXCID5014256-((3-(4-(2-Methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6-[3-[4-(o-Methoxyphenyl)-1-piperazinyl]propylamino]-1,3-dimethyluracil
이름 더 보기
Urapidil UrapidilBKUb-66256UrapidilC20H29N503Urapidil, 10 mM in DMSO4-dichlorophenoxyacetate
RefChem:933840C02CA066-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-1,3-dimethyluracil252-130-46-((3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)amino)-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneEupressylMediatensylUraprene
데이터베이스 식별자
- CAS
34661-75-1
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 68.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 588
실험 및 물리화학적 성질
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
LogP1.6
Collision Cross Section178.64 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 156 · 156-158°
- 끓는 점
- 513.42 °C · 513.42°C (rough estimate)
- 밀도
- 1.2058 · 1.2058 (rough estimate)
- 굴절률
- 1.76 · 1.7600 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 25 mg/mL · DMSO: 25 mg/mL (64.52 mM); Water: < 0.1 mg/mL (insoluble)
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 7.1 · 7.10(at 25℃)
- 색상
- White to Light yellow to Light orange
- Merck
- 14 · 14,9865
- InChI
- InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 148) of reports.
Warning
H302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 148 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (99.3%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Urapidil
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- rtecs
- YQ9862000
- 독성
- LD50 in male mice, rats (mg/kg): 750, 550 orally; 260, 145 i.v. (Koenig)
- HS 번호
- 2933.59.8000
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
화학 및 산업
약리 정보
ATC Code
C02CA06
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological Classification
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.
Drugs used to cause dilation of the blood vessels.
Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.
Drugs that bind to and block the activation of ADRENERGIC ALPHA-1 RECEPTORS.
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >2500
응용 분야
용도antihypertensive
상·하류 제품 정보
상류 원료
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
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