기본 정보
- 표준 SMILES
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl- InChIKey
PGYPOBZJRVSMDS-UHFFFAOYSA-N- 분자식
- C29H34Cl2N2O2
- 평균 분자량
- 513.5 g/mol
- 단동위원소 질량
- 512.19973369
개요
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+).
이름 및 식별자
- 우선 이름
- Loperamide Hydrochloride
- IUPAC
- 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;hydrochloride
이름 및 동의어
Loperamide hydrochloride34552-83-5Loperamide HClImodium A-DArretImodium A-D EZ chewsUp and up anti diarrhealIMODIUM ADVANCEDDiaquitteDiarezeLoperamidi hydrochloridumNSC-696356
이름 더 보기
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
데이터베이스 식별자
- CAS
34552-83-5- PubChem CID
- 71420
- DTXSID
DTXSID00880006- ChEMBL
CHEMBL1707- ChEBI
CHEBI:6533- UNII
- 77TI35393C
- EC Number
- 252-082-4
물성
구조 계산 물성
- 극성 표면적
- 43.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 623
실험 및 물리화학적 성질
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]
안전 및 규제
GHS 분류
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.
유해성 정보
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%)
독성 정보
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
화학 및 산업
약리 정보
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.
관련 반응
3건
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