기본 정보
- CAS
124750-92-1- 표준 SMILES
CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1- InChIKey
ZEUXAIYYDDCIRX-UHFFFAOYSA-N- 분자식
- C22H21ClN6O2
- 평균 분자량
- 436.9 g/mol
- 단동위원소 질량
- 436.1414516
개요
Losartan carboxylic acid is a biphenylyltetrazole that is losartan with the hydroxymethyl group at position 5 on the imidazole ring replaced with a carboxylic acid. It has a role as a metabolite. It is a member of imidazoles, an organochlorine compound and a biphenylyltetrazole. It is functionally related to a losartan.
이름 및 식별자
- 우선 이름
- Losartan carboxylic acid
- IUPAC
- 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
- 영어명
- Losartan carboxylic acid
- 분자식
- C22H21ClN6O2
- 분자량
- 436.89
이름 및 동의어
Losartan carboxylic acid124750-92-1EXP-3174EXP 3174Exp3174E-3174GD76OCH73X2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acidCHEBI:741251H-Imidazole-5-carboxylic acid, 2-butyl-4-chloro-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-DTXSID801544741H-imidazole-5-carboxylic acid, 2-butyl-4-chloro-1-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
이름 더 보기
LOSARTAN CARBOXY ACIDEXP 317l-158641AKOS 91941ALSTint-A07Losartan acidE-3174, EXP-3174
2-butyl-5-chloro-3-((4-(2-(2H-tetrazol-5-yl)phenyl)phenyl)methyl)imidazole-4-carboxylic acidRefChem:800052DTXCID50769652-n-butyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methylll)imidazole-5-carboxylic acidCarboxylosartanMFCD00871928CHEMBL9071-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-butyl-4-chloro-1H-imidazole-5-carboxylic acid
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 590
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Losartan
Collision Cross Section205.08 Ų [M-H]-
물리화학적 성질
- 녹는점
- 130 · 130-132°C
- 끓는 점
- 707.8 · 707.8±70.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 디메틸포름아미드, 디메틸설폭사이드, 메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.79 · 0.79±0.50(Predicted)
- 색상
- 연노랑
- InChIKey
- ZEUXAIYYDDCIRX-UHFFFAOYSA-N
- SMILES
- C1(CCCC)N(CC2=CC=C(C3=CC=CC=C3C3=NNN=N3)C=C2)C(C(O)=O)=C(Cl)N=1
화학적 성질
Light-Yellow Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P260, P261, P263, P264, P270, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, 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.
유해성 정보
Hazard Classes and CategoriesSkin Sens. 1B (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 29339900
- safety_code
- 24/25
- Hazard Classifications
- Lact.Repr. 1BSkin Sens. 1B
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
Metabolism/MetabolitesLosartan carboxylic acid is a known human metabolite of losartan carboxaldehyde and losartan.
MeSH Pharmacological Classification
Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.
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.
Tissue LocationsKidney
Cellular LocationsCytoplasm
응용 분야
개요Losartan carboxylic acid is a physiologically active metabolite of losartan , produced by cytochrome P450 isoforms in the liver. Like the parent compound, losartan carboxylic acid is a potent AT1 antagonist (Kis = 0.57 and 0.67 nM for rat and human forms, respectively), producing a depressor response and vasodilatation. When administered intravenously, losartan carboxylic acid is more potent and has a longer duration of action than losartan. However, the metabolite has very low oral bioavailability. Losartan, but not its metabolite, inhibits platelet aggregation in vitro.
용도Losartan carboxylic acid is used as a metabolite of Losartan.
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