기본 정보
- CAS
7020-55-5- 표준 SMILES
C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2- InChIKey
HOOSGZJRQIVJSZ-UHFFFAOYSA-N- 분자식
- C22H26NO3+
- 평균 분자량
- 352.4 g/mol
- 단동위원소 질량
- 352.19126869
개요
Clidinium is the ester resulting from formal condensation of benzilic acid and 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane. It is used, generally as the bromide, for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome. It has a role as an anti-arrhythmia drug, a parasympatholytic and an antispasmodic drug. It is an organic cation, a carboxylic ester and a quaternary ammonium ion. It is functionally related to a 3-quinuclidinol and a benzilic acid.
이름 및 식별자
- 우선 이름
- Clidinium
- IUPAC
- (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate
- 현지명
- 클리디늄
- 영어명
- clidinium
- 분자식
- C22H26NO3+
- 분자량
- 352.45
이름 및 동의어
clidinium7020-55-5N-Methyl quinuclidinyl benzilateClidinium ionClidinium cation3-hydroxy-1-methylquinuclidinium benzilate esterBO76JF850NCHEBI:3743DTXSID60453793-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[2.2.2]octane3-((hydroxy(diphenyl)acetyl)oxy)-1-methyl-1-azoniabicyclo(2.2.2)octane
이름 더 보기
클리디늄Clidinium bromide salt13C,2H3]-Clidinium bromide salt3-Hydroxy-1-methylquinuclidinium benzilate (ester)Quinuclidinium, 3-hydroxy-1-methyl-, benzilate (ester)1-Azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-
(1-methyl-1-azoniabicyclo(2.2.2)octan-8-yl) 2-hydroxy-2,2-di(phenyl)acetate(1-methyl-1-azoniabicyclo[2.2.2]octan-8-yl) 2-hydroxy-2,2-di(phenyl)acetate3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo(2.2.2)octaneRefChem:577717DTXCID4025379(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate[3H]clidiniumUNII-BO76JF850N
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 1
- 복잡도
- 482
실험 및 물리화학적 성질
Human DrugsPharmaceuticals
Melting Point240-241 °C
Collision Cross Section181.98 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 1-Azoniabicyclo[2.2.2]octane, 3-[(hydroxydiphenylacetyl)oxy]-1-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
화학 및 산업
약리 정보
PharmacodynamicsClidinium is a synthetic anticholinergic agent which has been shown in experimental and clinical studies to have a pronounced antispasmodic and antisecretory effect on the gastrointestinal tract.
Mechanism of ActionInhibits muscarinic actions of acetylcholine at postganglionic parasympathetic neuroeffector sites primarily by inhibiting the M1 muscarinic receptors.
FDA Pharmacological Classification
BO76JF850N
CLIDINIUM
Established Pharmacologic Class [EPC] - Anticholinergic
Physiologic Effects [PE] - Decreased Parasympathetic Acetylcholine Activity
Physiologic Effects [PE] - GI Motility Alteration
Physiologic Effects [PE] - Digestive/GI System Activity Alteration
MeSH Pharmacological ClassificationAgents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
용도 및 제조
Use ClassificationPharmaceuticals
공급사1 곳
北京华美互利生物化工010-56205725 · [email protected]
추가 설명
정의ChEBI: The ester resulting from formal condensation of benzilic acid and 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane. It is used, generally as the bromide, for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spa ms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome.
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