Carvedilol

1-((9H-Carbazol-4-yl)oxy)-3-((2-(2-Methoxyphenoxy)ethyl)aMino)propan-2-ol · COREG · Artist · 1-(9h-carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)-2-propano · Carca · Kredex · Querto · Carloc

https://huagongshe.com/de/chemical/2585

Identifikatoren & physikalische Daten

CAS No.	72956-09-3
Summenformel	C24H26N2O4
Durchschnittliche Molmasse	406,5 g/mol
Monoisotopische Masse	406,18925731 g/mol
SMILES	COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
InChIKey	OGHNVEJMJSYVRP-UHFFFAOYSA-N
PubChem CID	2585
ChEMBL	CHEMBL723
ChEBI	CHEBI:3441
EC No.	615-871-8
DTXSID	DTXSID8022747

Chemische & physikalische Eigenschaften

XLogP	4,2
Polarare Oberfläche (TPSA)	75,7
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	10
Schwere Atome	30
Formalladung	0
Komplexität	508
Arzneimittel	Pharmaceuticals -> Used in SwitzerlandPharmaceuticals -> Antihypertensives
LogP (Verteilungskoeffizient)	log Kow = 4.193.83.9
Color/Form	Colorless crystals from ethyl acetate
Löslichkeit	88mg/mLFreely soluble in dimethylsulfoxidesoluble in methylene chloride, methanolsparingly soluble in ethanol, isopropanolslightly soluble in ethyl etherPractically insoluble in simulated gastric and intestinal fluid at pH 1.1 and 7.5, respectivelyPractically insoluble in water4.44e-03 g/LDMSO: >20mg/mL449.2ug/L(22.5 ºC)
Human Drugs	Breast FeedingLactationMilk, HumanAntihypertensive AgentsAdrenergic Beta-AntagonistsAntiarrhythmicsFDA approved drugs -> Active ingredientPharmaceuticalsAntianginal medicines
Schmelzpunkt	114-115 °C114 - 115 °C113-117°C
Physical Description	Solid
Dissociation Constants	7.97
Collision Cross Section	190 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]189.68 Å² [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]189.1 Å² [M+H]+ [CCS Type: TW
Siedepunkt	655.2±55.0 °C(Predicted)
Dichte	1.250±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	13.90±0.20(Predicted)
Aggregatzustand	solid
Farbe	white to off-white
Merck	14,1873
Hauptanwendungen	pharmaceutical (small molecule)
InChI	InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
InChIKey	OGHNVEJMJSYVRP-UHFFFAOYSA-N
SMILES	C(OC1C2C3=C(NC=2C=CC=1)C=CC=C3)C(O)CNCCOC1=CC=CC=C1OC
CAS Datenbank	72956-09-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	H411 (86.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 114 reports by companies from 16 notifications to the ECHA C&L Inventory.WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Regulatorische Informationen	Carvedilol: Does not have an individual approval but may be used under an appropriate group standard
FDA-Anforderungen	The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including carvedilol, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.The Approved Drug Products with Therapeutic Equivalence Evaluations identifies currently marketed prescription drug products, including carvedilol phosphate, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Carvedilol phosphate/
Hazard Classes and Categories	Aquatic Chronic 2 (86.8%)
Brandbekämpfungsverfahren	Water spray, dry chemical, carbon dioxide, or foam as appropriate for surrounding fire and materials.As with all fires, evacuate personnel to a safe area. Firefighters should use self-contained breathing equipment and protective clothing.
Lagerbedingungen	Store in tight container as defined in the USP-NF. This material should be handled and stored per label instructions to ensure product integrity.
Reinigungsverfahren	Wear approved respiratory protection, chemically compatible gloves, and protective clothing. Wipe up spillage or collect spillage using a high- efficiency vacuum cleaner. Avoid breathing dust. Place spillage in appropriately labeled container for disposal. Wash spill site.
Entsorgungsverfahren	SRP: Expired or waste pharmaceuticals shall carefully take into consideration applicable DEA, EPA, and FDA regulations. It is not appropriate to dispose by flushing the pharmaceutical down the toilet or discarding to trash. If possible return the pharmaceutical to the manufacturer for proper disposal being careful to properly label and securely package the material. Alternatively, the waste pharmaceutical shall be labeled, securely packaged and transported by a state licensed medical waste contractor to dispose by burial in a licensed hazardous or toxic waste landfill or incinerator.

Anwendungen & Verwendung

Beschreibung

Carvedilol is a vasodilating beta-blocker useful in the treatment of hypertension and angina pectoris. In addition to lowering blood pressure, carvedilol decreases total vascular resistance without the reflex tachycardia usually occurring with vasodilators. It is reported to be well tolerated with renal sparing effects.

Verwenden

Carvedilol is a nonselective β-adrenergic blocker with α1-blocking activity. Carvedilol is an antihypertensive used in the treatment of congestive heart failure.