基本情報
- CAS
25990-43-6- 標準SMILES
C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1- InChIKey
GKNPSSNBBWDAGH-UHFFFAOYSA-N- 分子式
- C21H26NO3+
- 平均分子量
- 340.4 g/mol
- 単同位体質量
- 340.19126869
概要
2-hydroxy-2,2-diphenylacetic acid (1,1-dimethyl-3-piperidin-1-iumyl) ester is a diarylmethane.
名称と識別子
- 優先名称
- Mepenzolate
- IUPAC
- (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate
- 現地名
- 3-[[(ヒドロキシ)ジフェニルアセチル]オキシ]-1,1-ジメチルピペリジニウム
- 英語名
- Mepenzolon
- 分子式
- C21H25NO3
- 分子量
- 0
名称と別名
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-
名称をさらに表示
3-(ヒドロキシジフェニルアセトキシ)-1,1-ジメチルピペリジニウムメペンゾラート3-[(ヒドロキシジフェニルアセチル)オキシ]-1,1-ジメチルピペリジニウム3-[[(ヒドロキシ)ジフェニルアセチル]オキシ]-1,1-ジメチルピペリジニウム3-[(2-ヒドロキシ-2,2-ジフェニルアセチル)オキシ]-1,1-ジメチルピペリジン-1-イウム3-[(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
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 46.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 25
- 形式電荷
- 1
- 複雑度
- 432
実験および物理化学的性質
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]
物理化学的性質
- 沸点
- 0.03 · bp0.03 175-176°
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Other Safety InformationIMAP assessments - Piperidinium, 3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl-: Environment tier I assessment
毒性情報
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
化学と産業
薬理情報
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
用途と製造
Use ClassificationPharmaceuticals
応用分野
使用Anticholinergic.
サプライヤー
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