Eltoprazine

HCID 65853CAS 98224-03-4

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Grundinformationen

Standard-SMILES: c1cc2c(c(N3CCNCC3)c1)OCCO2
InChIKey: WVLHGCRWEHCIOT-UHFFFAOYSA-N
Summenformel: C12H16N2O2
Durchschnittliche Molmasse: 220,27 g/mol
Monoisotopische Masse: 220,12117775

Überblick

Eltoprazine is a member of the class of piperazines that is 1,4-benzodioxane substituted by a piperazin-1-yl group at position 5. It exhibits strong antidyskinetic effects and was previously in clinical trials for the management of aggressive behaviours. It has a role as an anxiolytic drug, a serotonergic agonist and an antidyskinesia agent. It is a member of piperazines, a tertiary amino compound and a benzodioxine.

Namen und Bezeichner

Bevorzugter Name: Eltoprazine
IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
Englischer Name: 1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-piperazine hydrochloride
Summenformel: C12H16N2O2
Molmasse: 220.27

Namen und Synonyme

Eltoprazine98224-03-41-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazineEltoprazinaEltoprazinumDU-28853510M006KO6DTXSID5048425RefChem:136558DTXCID3028398872-479-11-(2,3-Dihydrobenzo[b][1,4]dioxin-5-yl)piperazine

Weitere Namen anzeigen

EltoprazineHClEltoprazine (DU-28853)ELTOPRAZINE HYDROCHLORIDE5-Piperazino-2,3-dihydro-1,4-benzodioxin5-(Piperazin-1-yl)-2,3-dihydro-1,4-benzodioxinN-(2,3-Dihydrobenzo[1,4]dioxin-5-yl)piperazine4(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine1-[(2,3-Dihydro-1,4-benzodioxin)-5-yl]piperazinePiperazine, 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-

1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazineEltoprazine [INN]1-(1,4-Benzodioxan-5-yl)piperazineMFCD00868056CHEMBL2826144-(2,3-dihydrobenzo[1,4]dioxin-5-yl)piperazineDU 28853Eltoprazinum [Latin]

Datenbank-Bezeichner

CAS: 98224-03-4
PubChem CID: 65853
DTXSID: DTXSID5048425
ChEMBL: CHEMBL282614
ChEBI: CHEBI:234413
UNII: 510M006KO6
EC Number: 872-479-1
Nikkaji: J258.510C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 33,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 231

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

storage temp.: Store at RT
Löslichkeit: 25 mg/mL · DMSO : ≥ 25 mg/mL (113.50 mM)
Aggregatzustand: Powder
Farbe: White to off-white

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationEndogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS.