Grundinformationen
- CAS
3485-62-9- Standard-SMILES
C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-]- InChIKey
GKEGFOKQMZHVOW-UHFFFAOYSA-M- Summenformel
- C22H26BrNO3
- Durchschnittliche Molmasse
- 432,3 g/mol
- Monoisotopische Masse
- 431,10961
Überblick
Clidinium bromide is the bromide salt of clinidium. It is used for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome. It has a role as an anti-arrhythmia drug, a parasympatholytic and an antispasmodic drug. It is a quaternary ammonium salt and an organic bromide salt. It contains a clidinium. It is functionally related to a 3-quinuclidinol and a benzilic acid.
Namen und Bezeichner
- Bevorzugter Name
- Clidinium Bromide
- IUPAC
- (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
- Lokaler Name
- Clidiniumbromid
- Englischer Name
- Clidinium bromide
- Summenformel
- C22H26BrNO3
- Molmasse
- 432.35
Namen und Synonyme
CLIDINIUM BROMIDE3485-62-9QuarzanBromuro de clidinioBromure de clidiniumClidinii bromidumRo 2-37733-Hydroxy-1-methylquinuclidinium bromide benzilateQuinuclidinol methylbromide, benzilateDTXSID702283591ZQW5JF1Z1-Methyl-3-(benziloyloxy)quinuclidinium bromide
Weitere Namen anzeigen
ClidiniumRo-3773AV54315AV 54315AV-54315quarzanbromideClidinium Brimide
3-(Benziloyloxy)-1-methylquinuclidinium bromideNSC-7566863-(2,2-Diphenyl-2-hydroxyethanoyloxy)-quinuclidinium bromideRo-23773Ro-2-3773CHEBI:3744DTXCID7028351-Azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-, bromide
Datenbank-Bezeichner
- CAS
3485-62-9- PubChem CID
- 19004
- DTXSID
DTXSID7022835
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 482
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section183.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 240 · 240-241°C
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Sonicated), Water (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Major Application
- forensics and toxicologypharmaceutical (small molecule)veterinary
- InChI
- 1S/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H
- InChIKey
- WVDSMJSQJXGCNY-UHFFFAOYSA-N
- SMILES
- Br.C[N]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4
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
Warning
H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Other Safety InformationIMAP assessments - 1-Azoniabicyclo[2.2.2]octane, 3-[(hydroxydiphenylacetyl)oxy]-1-methyl-, bromide: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (95.3%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3249
- hs_code
- 2933399090
- RTECS-Nr.
- VD6125000
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationAgents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Anwendungen
BeschreibungClidinium is a gastrointestinal muscarinic receptor antagonist (Ki = 3 nM against [3H]quinuclidinyl benzilate binding in rat colonic enterocytes). Administration of clidinium, at a dose of 1 mg/kg, slows intestinal transit and induces constipation in mice. This clidinium-induced constipation induces serum hyperammonemia and decreases clonic, myoclonic, and tonic seizure thresholds in a murine pentylenetetrazole-induced epilepsy model.
VerwendenClidinium inhibits muscarinic action of acetylcholine on postganglionic parasympathetic effector regions. It is used for treating stomach ulcers.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter66 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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