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Methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride

HCID 46878362
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
81161-17-3
표준 SMILES
COC(=O)CCc1ccc(OCC(O)C[NH2+]C(C)C)cc1.[Cl-]
InChIKey
GEKNCWBANDDJJL-UHFFFAOYSA-N
분자식
C16H26ClNO4
평균 분자량
331.8 g/mol
단동위원소 질량
331.155036

개요

Esmolol hydrochloride is the hydrochloride salt of esmolol. A cardioselective and short-acting beta1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used in the management of supraventricular arrhythmias, and for the control of hypertension and tachycardia during surgery. It has a role as a beta-adrenergic antagonist and an anti-arrhythmia drug. It contains an esmolol.

이름 및 식별자

우선 이름
Methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride
IUPAC
[2-hydroxy-3-[4-(3-methoxy-3-oxopropyl)phenoxy]propyl]-propan-2-ylazanium chloride
영어명
Esmolol hydrochloride
분자식
C16H26ClNO4
분자량
331.83

이름 및 동의어

4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoic acid methyl ester hydrochloride(+-)-esmolol hydrochloridemethyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate hydrochloride2-hydroxy-3-[4-(3-methoxy-3-oxopropyl)phenoxy]-N-(propan-2-yl)propan-1-aminium chloridemethyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochlorideESMOLOL HCLBreviblocEsmoLasl8052DA8346000636-017-0Esmolol-002
이름 더 보기
EsMolol Hcl APIEsmolol ImpurityHClESMOLOL HYDROCHLORIDE

데이터베이스 식별자

CAS
81161-17-3
PubChem CID
46878362
ChEBI
CHEBI:4857

물성

구조 계산 물성

극성 표면적
72.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
10
무거운 원자 수
22
형식 전하
0
복잡도
288

물리화학적 성질

녹는점
48 · 48-50°C
밀도
1.026 · 1.026
인화점
Not applicable
저장 조건
20 °C · −20°C
용해도
2 O: · H2O: 용해성12mg/mL
물리적 상태
완충 수용액
색상
흰색에서 황백색까지
수용성
약간 용해됨
주요 응용
의약품(소분자)
InChI
InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H
InChIKey
GEKNCWBANDDJJL-UHFFFAOYSA-N
SMILES
C(OC)(=O)CCC1=CC=C(OCC(O)CNC(C)C)C=C1.[H]Cl
화학적 성질 · 1건

Esmolol Hydrochloride is a white to off-white crystalline powder. It is a relatively hydrophilic compound which is very soluble in water and freely soluble in alcohol. Its partition coefficient (octanol/water) at pH 7.0 is 0.42 compared to 17.0 for propranolol.Esmolol Hydrochloride has the empirical formula C16H26NO4Cl and a molecular weight of 331.8. It has one asymmetric center and exists as an enantiomeric pair.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
-
rtecs
DA8346000
HS 번호
2922199695
risk_code
52/53
safety_code
61
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
81161-17-3(Hazardous Substances Data)

화학 및 산업

응용 분야 · 2건

개요Esmolol is an ultra-short acting, cardioselective P-blocker with no intrinsic sympathomimetic activity. The capability of rapid reversal makes esmolol uniquely suitable for the acute management of supraventricular tachycardia and the control of blood pressure and heart rate during surgery or other cardiac emergencies.

용도Esmolol hydrochloride is indicated for paroxysmal supraventricular tachycardia, the rapid control of ventricular rate in patients with atrial fibrillation or atrial flutter in perioperative, postoperative, or other emergent circumstances where short term control of ventricular rate with a short-acting agent is desirable. Esmolol hydrochloride is also indicated in noncompensatory sinus tachycardia where, in the physician's judgment, the rapid heart rate requires specific intervention. Esmolol hydrochloride is not intended for use in chronic settings where transfer to another agent is anticipated.

상·하류 제품 정보

상류 원료

황산이소프로필아민에피클로로하이드린염산탄산 칼륨3-(4-하이드록시페닐)프로피온산

하류 제품

EsMolol Acid SodiuM Salt
추가 설명 · 1건

정의ChEBI: The hydrochloride salt of esmolol. A cardioselective and short-acting beta1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used in the management of su raventricular arrhythmias, and for the control of hypertension and tachycardia during surgery.

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