기본 정보
- CAS
462-58-8- 표준 SMILES
C[N+](C)(C)CCOC(N)=O- InChIKey
VPJXQGSRWJZDOB-UHFFFAOYSA-O- 분자식
- C6H15N2O2+
- 평균 분자량
- 147.2 g/mol
- 단동위원소 질량
- 147.11335273
개요
Carbamoylcholine, also known as carbachol, is a muscarinic agonist discovered in 1932. Carbamoylcholine was initially used as a treatment for migraines, induction of diuresis, and other parasympathetic effects. Carbamoylcholine was granted FDA approval on 28 September 1972.
이름 및 식별자
- 우선 이름
- Carbamylcholine
- IUPAC
- 2-carbamoyloxyethyl(trimethyl)azanium
- 현지명
- N,N,N-트리메틸-2-(카르바모일옥시)에탄아미늄
- 영어명
- N,N,N-Trimethyl-2-(carbamoyloxy)ethanaminium
- 분자식
- C6H15N2O2
- 분자량
- 0
이름 및 동의어
CarbamylcholineCarbamoylcholine462-58-8choline carbamate54Z8M50D6QEthanaminium, 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-DTXSID0048397RefChem:54708DTXCID50283702-(trimethylazaniumyl)ethyl carbamate2-(carbamoyloxy)-N,N,N-trimethylethanaminium2-carbamoyloxyethyl(trimethyl)azanium
이름 더 보기
N,N,N-트리메틸-2-(카르바모일옥시)에탄아미늄N,N,N-Trimethyl-2-(carbamoyloxy)ethanaminium
2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM(2-Carbamoyloxy-ethyl)-trimethyl-ammoniumCHEMBL14CARBAMYL-CHOLINE(carbachol)(2-Carbamoyloxy-ethyl)-trimethyl-ammoniumCholine, carbonate (ester)CCE
데이터베이스 식별자
- CAS
462-58-8、51-83-2- PubChem CID
- 2551
- DTXSID
DTXSID0048397- ChEMBL
CHEMBL965- UNII
- 54Z8M50D6Q
- Nikkaji
- J2.049D
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 52.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 10
- 형식 전하
- 1
- 복잡도
- 117
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP-3.78
Solubility9.48e-01 g/L
Human DrugsPharmaceuticals
Melting Point
208-210
210 °C
Physical DescriptionSolid
화학 및 산업
약리 정보
Protein BindingData regarding protein binding of carbamoylcholine is not readily available.
Pharmacodynamics
Carbamoylcholine is a parasympathomimetic that acts as an agonist of muscarinic and nicotinic receptors. It is more resistant to hydrolysis by acetylcholinesterase than other choline esters leading to a longer duration of action, with significant effects 24 hours after administration. Data regarding the therapeutic index of carbamoylcholine is not readily available. Patients should be counselled regarding the risk of administering the drug to patients with acute cardiac failure, bronchial asthma, peptic ulcer, hyperthyroidism, gastrointestinal spasm, urinary tract obstruction, or Parkinson's disease.
Mechanism of ActionCarbamoylcholine is a parasympathomimetic that acts as an agonist of muscarinic and nicotinic receptors. Intraocular administration leads to miosis and decreases intraocular pressure via increased aqueous humour outflow.
Biological Half-LifeData regarding the half life of carbamoylcholine is not readily available.
Metabolism/MetabolitesThe metabolism of carbamoylcholine has not been well described in the literature. It is metabolized to a small extent by acetylcholinesterase.
FDA Pharmacological Classification
54Z8M50D6Q
CARBAMOYLCHOLINE
Mechanisms of Action [MoA] - Cholinergic Agonists
Established Pharmacologic Class [EPC] - Cholinergic Receptor Agonist
Carbamoylcholine is a Cholinergic Receptor Agonist. The mechanism of action of carbamoylcholine is as a Cholinergic Agonist.
MeSH Pharmacological Classification
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
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