카르베딜롤

카르베딜롤 · 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

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

식별자 및 물리적 특성

CAS No.	72956-09-3
분자식	C24H26N2O4
평균 분자량	406.5 g/mol
단동위원소 질량	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
현지명	카르베딜롤

화학 및 물리적 성질

XLogP	4.2
극성 표면적	75.7
수소 결합 공여자 수	3
수소 결합 수용자 수	5
회전 가능 결합 수	10
무거운 원자 수	30
형식 전하	0
복잡도	508
의약품	Pharmaceuticals -> Used in SwitzerlandPharmaceuticals -> Antihypertensives
LogP(분배 계수)	log Kow = 4.193.83.9
Color/Form	Colorless crystals from ethyl acetate
용해도	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/mL
Human Drugs	Breast FeedingLactationMilk, HumanAntihypertensive AgentsAdrenergic Beta-AntagonistsAntiarrhythmicsFDA approved drugs -> Active ingredientPharmaceuticalsAntianginal medicines
녹는점	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
끓는 점	655.2±55.0 °C(Predicted)
밀도	1.250±0.06 g/cm3(Predicted)
저장 조건	2-8°C
pKa(산도 계수)	13.90±0.20(Predicted)
물리적 상태	고체
색상	흰색에서 황백색까지
용해도	449.2ug/L(22.5ºC)
Merck	14,1873
주요 응용	의약품(소분자)
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

화학적 성질

Colourless Crystalline Solid

안전 및 규제

GHS 분류	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)
규제 정보	Carvedilol: Does not have an individual approval but may be used under an appropriate group standard
FDA 요건	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%)
소화 절차	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.
보관 조건	Store in tight container as defined in the USP-NF. This material should be handled and stored per label instructions to ensure product integrity.
정리 방법	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.
처리 방법	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.

용도

개요

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.

용도

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

일반 설명

Carvedilol (Coreg) is a β-blocker that hasa unique pharmacological profile. Like labetalol, it is aβ-blocker that possesses α1-blocking activity. Only the(S) enantiomer possesses the β-blocking activity, althoughboth enantiomers are blockers of the α1-receptor. Overall,its β-blocking activity is 10- to 100-fold of its α-blocking activity.