Grundinformationen
- CAS
4093-35-0- Standard-SMILES
CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC- InChIKey
GIYAQDDTCWHPPL-UHFFFAOYSA-N- Summenformel
- C14H22BrN3O2
- Durchschnittliche Molmasse
- 344,25 g/mol
- Monoisotopische Masse
- 343,08954
Überblick
4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide is a member of benzamides.
Namen und Bezeichner
- Bevorzugter Name
- Bromopride
- IUPAC
- 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
- Lokaler Name
- Bromoprid
- Englischer Name
- Bromopride
- Summenformel
- C14H22BrN3O2
- Molmasse
- 344.25
Namen und Synonyme
bromopride4093-35-0Bromoprida4-amino-5-bromo-N-(2-(diethylamino)ethyl)-2-methoxybenzamideBromopridum4-Amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamideBromopridMovipride4-Amino-5-bromo-N-(2-(diethylamino)ethyl)-o-anisamideDTXSID0045383NSC-75839175473V2YZK
Weitere Namen anzeigen
EmorilViadilPraidenPlesiumOpridanEmeprideval13081
N-(Diethylaminoethyl)-2-methoxy-4-amino-5-bromobenzamideDTXCID8025383RefChem:121629A03FA04223-842-2ArtomeyValoprideVAL 13081
Datenbank-Bezeichner
- CAS
4093-35-0- PubChem CID
- 2446
- DTXSID
DTXSID0045383- ChEMBL
CHEMBL399510- ChEBI
CHEBI:95304
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 67,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 300
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.62
Melting Point134-135
Collision Cross Section
173.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
135.07 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 · 148-150C
- Siedepunkt
- 435.8 · 435.8±45.0 °C(Predicted)
- Dichte
- 1.4132 · 1.4132 (rough estimate)
- Brechungsindex
- 1.62 · 1.6200 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Sicherheitsdaten
- wgk
- 3
- RTECS-Nr.
- BZ3280000
- risk_code
- 20/21/22
- hazard_code
- Xn
- safety_code
- 36
Chemie und Industrie
Pharmakologische Informationen
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Protein Binding40%.
Metabolism/MetabolitesHepatic.
MeSH Pharmacological Classification
Drugs used to prevent NAUSEA or VOMITING.
Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.
Absorption, Distribution and ExcretionRenal, 10-14% as original compound.
Anwendungen
BeschreibungBromopride is a dopamine D2 receptor antagonist (Ki = 14 nM). It binds to bovine anterior pituitary membranes with an IC50 value of 2.13 μM. Bromopride inhibits cholinesterase activity in vitro in rat plasma and striatum homogenate (IC50s = 67.8 and 38.4 μM, respectively). It increases serum prolactin levels in rats by 100% when used at a dose of 0.02 mol/kg. Bromopride (2.5 mg/kg) decreases locomotion and rearing in an open field test and impairs acquistion, but not retention, of a conditioned avoidance response in a two-way active conditioned avoidance test in rats.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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