(+)-Epibatidine dihydrochloride

HCID 21946437

노트 반응

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기본 정보

CAS: 166374-43-2
표준 SMILES: Cl.Cl.Clc1ccc(C2CC3CCC2N3)cn1
InChIKey: DGNNWUINALNROG-UHFFFAOYSA-N
분자식: C11H15Cl3N2
평균 분자량: 281.6 g/mol
단동위원소 질량: 280.03008152

개요

See also: Epibatidine (annotation moved to).

이름 및 식별자

우선 이름: (+)-Epibatidine dihydrochloride
IUPAC: 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;dihydrochloride
영어명: exo-(+)-1R,2R,4S-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane dihydrochloride
분자식: C11H14Cl2N2
분자량: 245.15

이름 및 동의어

(+)-Epibatidine dihydrochloride166374-43-2Epibatidine 2HCl(+/-)-EPIBATIDINE DIHYDROCHLORIDEEpibatidine Dihydrochloride7-Azabicyclo[2.2.1]heptane, 2-(6-chloro-3-pyridinyl)-, hydrochloride (1:2), (1R,2R,4S)-2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane dihydrochlorideSCHEMBL5969577CHEMBL5665457DTXSID60620566DGNNWUINALNROG-UHFFFAOYSA-NMGA88501

이름 더 보기

)-EpibatidineDihydrochloride

2-(6-chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane;dihydrochloride2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane dihydrochloride2-(6-Chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane--hydrogen chloride (1/2)

데이터베이스 식별자

CAS: 166374-43-2
PubChem CID: 21946437
DTXSID: DTXSID60620566
ChEMBL: CHEMBL5665457
EC Number: 634-094-5

물성

구조 계산 물성

극성 표면적: 24.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 221

물리화학적 성질

용해도: 2 O: · H2O: 용해성10mg/mL
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (100%)

안전 데이터

ridadr: UN 2811 6.1 / PGI
risk_code: 27/28
hazard_code: T+
safety_code: 28-36/37-45

화학 및 산업

응용 분야

용도(±)-Epibatidine Dihydrochloride is an alkaloid and an α4β2 selective nicotinic agonist (1). It has binding affinities for α4β2 and α3β4 nicotinic receptors (2).