基本情報
- 標準SMILES
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl- InChIKey
PGYPOBZJRVSMDS-UHFFFAOYSA-N- 分子式
- C29H34Cl2N2O2
- 平均分子量
- 513.5 g/mol
- 単同位体質量
- 512.19973369
概要
Loperamide hydrochloride is a hydrochloride obtained by combining loperamide with one equivalent of hydrochloric acid. Used for treatment of diarrhoea resulting from gastroenteritis or inflammatory bowel disease. It has a role as an anticoronaviral agent, a mu-opioid receptor agonist and an antidiarrhoeal drug. It contains a loperamide(1+).
名称と識別子
- 優先名称
- Loperamide Hydrochloride
- IUPAC
- 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;hydrochloride
名称と別名
Loperamide hydrochloride34552-83-5Loperamide HClImodium A-DArretImodium A-D EZ chewsUp and up anti diarrhealIMODIUM ADVANCEDDiaquitteDiarezeLoperamidi hydrochloridumNSC-696356
名称をさらに表示
R 18,553DTXSID008800064-(4-Chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenylpiperidine-1-butyramide monohydrochloride77TI35393C4-(p-Chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-1-piperidine butyramide HClCHEBI:65334-(p-Chlorophenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-1-piperidinebutyramide monohydrochlorideR-18553
データベース識別子
- CAS
34552-83-5- PubChem CID
- 71420
- DTXSID
DTXSID00880006- ChEMBL
CHEMBL1707- ChEBI
CHEBI:6533- UNII
- 77TI35393C
- EC Number
- 252-082-4
物性
構造計算による物性
- 極性表面積
- 43.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 7
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 623
実験および物理化学的性質
Solubility>77 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section219.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 5 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationLoperamide hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1-Piperidinebutanamide, 4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-.alpha.,.alpha.-diphenyl-, monohydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Loperamide hydrochloride
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
化学と産業
薬理情報
FDA Pharmacological Classification
FIRST AID DIRECT ANTI-DIARRHEAL
Opioid Agonist [EPC]; Opioid Agonists [MoA]
LOPERAMIDE HCI
Opioid Agonists [MoA]; Opioid Agonist [EPC]
LOPERAMIDE HCL
Opioid Agonists [MoA]; Opioid Agonist [EPC]
MeSH Pharmacological ClassificationMiscellaneous agents found useful in the symptomatic treatment of diarrhea. They have no effect on the agent(s) that cause diarrhea, but merely alleviate the condition.
関連反応
3 件
関連ノート
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