Urapidil
Grundinformationen
- CAS
34661-75-1- Standard-SMILES
COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1- InChIKey
ICMGLRUYEQNHPF-UHFFFAOYSA-N- Summenformel
- C20H29N5O3
- Durchschnittliche Molmasse
- 387,5 g/mol
- Monoisotopische Masse
- 387,2270398
Überblick
Urapidil is a member of piperazines.
Namen und Bezeichner
- Bevorzugter Name
- Urapidil
- IUPAC
- 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpyrimidine-2,4-dione
- Lokaler Name
- Urapidil
- Englischer Name
- 6-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil
- Summenformel
- C20H29N5O3
- Molmasse
- 387.48
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
34661-75-1- PubChem CID
- 5639
- DTXSID
DTXSID9021425- ChEMBL
CHEMBL279229- ChEBI
CHEBI:32278- UNII
- A78GF17HJS
- EC Number
- 252-130-4
- Nikkaji
- J19.690H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 68,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 588
Experimentelle und physikochemische Eigenschaften
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- 156 · 156-158°
- Siedepunkt
- 513.42 °C · 513.42°C (rough estimate)
- Dichte
- 1.2058 · 1.2058 (rough estimate)
- Brechungsindex
- 1.76 · 1.7600 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 25 mg/mL · DMSO: 25 mg/mL (64.52 mM); Water: < 0.1 mg/mL (insoluble)
- Aggregatzustand
- powder to crystal
- pka
- 7.1 · 7.10(at 25℃)
- Farbe
- 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
- InChIKey
- ICMGLRUYEQNHPF-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C)C(NCCCN2CCN(C3=CC=CC=C3OC)CC2)=CC(=O)N1C
- CAS Datenbank
- 34661 · 34661-75-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (99.3%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Urapidil
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Sicherheitsdaten
- hs_code
- 2933.59.8000
- RTECS-Nr.
- YQ9862000
- risk_code
- 22-36/37/38
- Toxizität
- LD50 in male mice, rats (mg/kg): 750, 550 orally; 260, 145 i.v. (Koenig)
- hazard_code
- Xn
- safety_code
- 26
Chemie und Industrie
Pharmakologische Informationen
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.
Verwendung und Herstellung
UsesUse (kg; approx.) in Germany (2009): >2500
Anwendungen
Verwendenantihypertensive
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
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