4-(4-Chlorphenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenylpiperidin-1-butyramidmonohydrochlorid
Loperamide Hydrochloride
Grundinformationen
- CAS
34552-83-5- Standard-SMILES
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl- InChIKey
PGYPOBZJRVSMDS-UHFFFAOYSA-N- Summenformel
- C29H34Cl2N2O2
- Durchschnittliche Molmasse
- 513,5 g/mol
- Monoisotopische Masse
- 512,19973369
Überblick
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+).
Namen und Bezeichner
- Bevorzugter Name
- Loperamide Hydrochloride
- IUPAC
- 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;hydrochloride
- Lokaler Name
- 4-(4-Chlorphenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenylpiperidin-1-butyramidmonohydrochlorid
- Englischer Name
- Loperamide hydrochloride
- Summenformel
- C29H34Cl2N2O2
- Molmasse
- 513.5
Namen und Synonyme
Loperamide hydrochloride34552-83-5Loperamide HClImodium A-DArretImodium A-D EZ chewsUp and up anti diarrhealIMODIUM ADVANCEDDiaquitteDiarezeLoperamidi hydrochloridumNSC-696356
Weitere Namen anzeigen
suprasecimodium4-(4-(p-chlorophenyl)-4-hydroxy-1-piperidyl)-n,n-dimethyl-2,2-diphenylbutyra4-(4-CHLOROPHENYL)-4-HYDROXY-N,N-DIMETHYL-ALPHA,ALPHA-DIPHENYL-1-PIPERIDINBUTYRAMIDE HYDROCHLORIDE4-(4-CHLOROPHENYL)-4-HYDROXY-N,N-DIMETHYL-ALPHA,ALPHA-DIPHENYL-1-PIPERIDINEBUTANAMIDE HYDROCHLORIDEbloxpj185imosecImosse
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
Datenbank-Bezeichner
- CAS
34552-83-5- PubChem CID
- 71420
- DTXSID
DTXSID00880006- ChEMBL
CHEMBL1707- ChEBI
CHEBI:6533- UNII
- 77TI35393C
- EC Number
- 252-082-4
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 43,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 623
Experimentelle und physikochemische Eigenschaften
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]
Physikochemische Eigenschaften
- Schmelzpunkt
- 223 · 223-225°C
- Dichte
- 1.1905 · 1.1905 (rough estimate)
- Brechungsindex
- 1.61 · 1.6100 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Slightly soluble in water, freely soluble in ethanol (96 per cent) and in methanol.
- pka
- 8.66 · 8.66(at 25℃)
- Aggregatzustand
- Solid
- Farbe
- White to Almost white
- Merck
- 14 · 14,5571
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- InChI=1S/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H
- InChIKey
- PGYPOBZJRVSMDS-UHFFFAOYSA-N
- SMILES
- C(C(=O)N(C)C)(CCN1CCC(O)(C2C=CC(Cl)=CC=2)CC1)(C1=CC=CC=C1)C1=CC=CC=C1.Cl
- CAS Datenbank
- 34552 · 34552-83-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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%)
Toxikologische Informationen
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
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29333990
- RTECS-Nr.
- TM4960000
- risk_code
- 25
- Toxizität
- LD50 in mice (mg/kg): 75 s.c.; 28 i.p.; 105 orally; in rats (mg/kg): 185 orally (Niemegeers)
- hazard_code
- T
- safety_code
- 45
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Pharmakologische Informationen
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.
Anwendungen
VerwendenLoperamide hydrochloride is a Ca2+ channel protein inhibitor and MOR activator.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: A hydrochloride obtained by combining loperamide with one equivalent of hydrochloric acid. Used for treatment of diarrhoea resulting from gastroenteritis or inflammatory bowel disease.
Zugehörige Reaktionen
3
Notizen zur Verbindung
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