1-(2,3-디히드로-1,4-벤조디옥신-5-YL)-피페라진염산염

Eltoprazine

HCID 65853CAS 98224-03-4

기본 정보

표준 SMILES: c1cc2c(c(N3CCNCC3)c1)OCCO2
InChIKey: WVLHGCRWEHCIOT-UHFFFAOYSA-N
분자식: C12H16N2O2
평균 분자량: 220.27 g/mol
단동위원소 질량: 220.12117775

개요

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.

이름 및 식별자

우선 이름: Eltoprazine
IUPAC: 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
현지명: 1-(2,3-디히드로-1,4-벤조디옥신-5-YL)-피페라진염산염
영어명: 1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-piperazine hydrochloride
분자식: C12H16N2O2
분자량: 220.27

이름 및 동의어

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

이름 더 보기

1-(2,3-디히드로-1,4-벤조디옥신-5-YL)-피페라진염산염EltoprazineHClEltoprazine (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]

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 33.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 231

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

저장 조건: Store at RT
용해도: 25 mg/mL · DMSO : ≥ 25 mg/mL (113.50 mM)
물리적 상태: 가루
색상: White to off-white

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

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.