기본 정보
- CAS
25990-43-6- 표준 SMILES
C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1- InChIKey
GKNPSSNBBWDAGH-UHFFFAOYSA-N- 분자식
- C21H26NO3+
- 평균 분자량
- 340.4 g/mol
- 단동위원소 질량
- 340.19126869
개요
2-hydroxy-2,2-diphenylacetic acid (1,1-dimethyl-3-piperidin-1-iumyl) ester is a diarylmethane.
이름 및 식별자
- 우선 이름
- Mepenzolate
- IUPAC
- (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate
- 현지명
- 메펜졸론
- 영어명
- Mepenzolon
- 분자식
- C21H25NO3
- 분자량
- 0
이름 및 동의어
mepenzolateMepenzolic acidMepenzolate ion25990-43-6Mepenzolate cationONW3LB39P7Mepenzolate bromide free baseDTXSID2046969(1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetatePiperidinium, 3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethylpiperidin-1-iumPIPERIDINIUM, 3-((HYDROXYDIPHENYLACETYL)OXY)-1,1-DIMETHYL-
이름 더 보기
메펜졸론3-[(Hydroxydiphenylacetyl)oxy]-1,1-dimethylpiperidiniumPiperidinium, 3-hydroxy-1,1-dimethyl-, benzilate (ester) (8CI)Piperidinium, 3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl- (9CI)
3-((2-hydroxy-2,2-diphenylacetyl)oxy)-1,1-dimethylpiperidin-1-iumRefChem:925490DTXCID0026969CantrilMepenzolon1-Methyl-3-piperidyl benzilate methyl bromideUNII-ONW3LB39P7racemic mepenzolate
데이터베이스 식별자
- CAS
25990-43-6
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 1
- 복잡도
- 432
실험 및 물리화학적 성질
Solubility6.27e-04 g/L
Human Drugs
Breast Feeding; Lactation; Anti-Ulcer Agents; Muscarinic Antagonists; Parasympatholytics
Pharmaceuticals
Physical DescriptionSolid
Collision Cross Section179.23 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 끓는 점
- 0.03 · bp0.03 175-176°
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Other Safety InformationIMAP assessments - Piperidinium, 3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl-: Environment tier I assessment
독성 정보
HepatotoxicityLike other anticholinergic agents, mepenzolate has not been linked to episodes of liver enzyme elevations or clinically apparent liver injury. The metabolism of mepenzolate is not well defined, but it is likely metabolized by the liver.
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
mepenzolate
DILI Negative
Oral
DOI:10.1016/j.drudis.2019.09.022
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
PharmacodynamicsMepenzolate diminishes gastric acid and pepsin secretion. Mepenzolate also suppresses spontaneous contractions of the colon. Pharmacologically, it is a post-ganglionic parasympathetic inhibitor.
Mechanism of ActionMepenzolate is a post-ganglionic parasympathetic inhibitor. It specifically antagonizes muscarinic receptors. This leads to decreases in gastric acid and pepsin secretion and suppression of spontaneous contractions of the colon.
FDA Pharmacological Classification
ONW3LB39P7
MEPENZOLATE
Established Pharmacologic Class [EPC] - Anticholinergic
Mechanisms of Action [MoA] - Cholinergic Antagonists
Mepenzolate is an Anticholinergic. The mechanism of action of mepenzolate is as a Cholinergic Antagonist.
Absorption, Distribution and Excretion
Between 3 and 22% of an orally administered dose is excreted in the urine over a 5-day period, with the majority of the radioactivity appearing on Day 1. The remainder appears in the next 5 days in the feces and presumably has not been absorbed.
Between 3 and 22% of an orally administered dose is excreted in the urine over a 5-day period, with the majority of the radioactivity appearing on Day 1.
Cellular LocationsMembrane
용도 및 제조
Use ClassificationPharmaceuticals
응용 분야
용도Anticholinergic.
공급사
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