Betaxolol

ZB-5 · C06849 · βxolol · BETAXOLOL · Betaxolols · Betoptic S · Betaprolol · Betaxolol Base

식별자 및 물리적 특성

CAS No.	63659-18-7
분자식	C18H29NO3
평균 분자량	307.4 g/mol
단동위원소 질량	307.21474379 g/mol
SMILES	CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1
InChIKey	NWIUTZDMDHAVTP-UHFFFAOYSA-N
PubChem CID	2369
ChEMBL	CHEMBL423
ChEBI	CHEBI:3082
EC No.	613-310-1
DTXSID	DTXSID2022674

화학 및 물리적 성질

XLogP	2.8
극성 표면적	50.7
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	11
무거운 원자 수	22
형식 전하	0
복잡도	286
의약품	Pharmaceuticals
LogP(분배 계수)	2.42.81
용해도	2.98e-02 g/L클로로포름(약간 용해됨), 메탄올(약간 용해됨)
Human Drugs	Breast FeedingLactationMilk, HumanAntihypertensive AgentsAdrenergic Beta-AntagonistsAntiglaucoma AgentsAntiarrhythmicsPharmaceuticals
녹는점	70-72 °C70 - 72 °C61-63°C
Physical Description	Solid
Dissociation Constants	9.219.4
끓는 점	448.0±40.0 °C(Predicted)
밀도	1.067±0.06 g/cm3(Predicted)
저장 조건	-20°C Freezer
pKa(산도 계수)	pKa 9.21 (Uncertain)
물리적 상태	고체
색상	하얀색

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P273, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Hepatotoxicity	Betaxolol therapy has been associated with a low rate of mild-to-moderate elevations of serum aminotransferase levels which are usually asymptomatic and transient and resolve even with continuation of therapy. There have been no well documented cases of clinically apparent, acute liver injury attributable to betaxolol. Thus, hepatotoxicity due to betaxolol must be very rare, if it occurs at all. Most commonly used beta-blockers have been linked to rare instances of clinically apparent liver injury, typically with onset within 2 to 12 weeks, a hepatocellular pattern of liver enzyme elevations, rapid recovery on withdrawal, and little evidence of hypersensitivity (rash, fever, eosinophilia) or autoantibody formation.
유해 작용	Betaxolol has both local and systemic adverse effects. The ocular adverse drug reactions include transient irritation (25% to 40%), burning, pruritus, punctate keratitis, and blurry vision. Compared to topical timolol (a nonselective β-blocker), betaxolol showed a higher incidence of ocular adverse effects. Compared to nonselective topical β-adrenergic receptor blockers, betaxolol is less likely to cause adverse effects on pulmonary function. However, betaxolol use still requires caution in patients with underlying pulmonary disease. Symptomatic pulmonary obstruction due to betaxolol has been reported in patients with underlying asthma or chronic obstructive pulmonary disease. A post-marketing study in the United States identified 56 spontaneous adverse effect reports, with 8 cases requiring hospitalization due to asthma exacerbation.
독성 요약	Signs and Symptoms of Overdose
Drug Induced Liver Injury	Drug-Induced Liver Injury Severity and Toxicity (DILIst)betaxololDILI NegativeOralDOI:10.1016/j.drudis.2019.09.022
Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation
관세 코드	29225090

용도

Cardioselective 1-adrenergic blocker. An antihypertensive; antiglaucoma