Norarecoline Hydrochloride

HCID 201540CAS 6197-39-3

기본 정보

표준 SMILES: COC(=O)C1=CCCNC1.Cl
InChIKey: ZWALOEQHJRUTKM-UHFFFAOYSA-N
분자식: C7H12ClNO2
평균 분자량: 177.63 g/mol
단동위원소 질량: 177.0556563

이름 및 식별자

우선 이름: Norarecoline Hydrochloride
IUPAC: methyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride
영어명: Methyl 1,2,5,6-Tetrahydropyridine-3-carboxylate Hydrochloride
분자식: C7H12ClNO2
분자량: 177.62868

이름 및 동의어

6197-39-3Guvacoline hydrochlorideGuvacine methyl ester hydrochlorideDTXSID102109961,2,5,6-Tetrahydro-3-pyridinecarboxylic acid methyl ester hydrochloride3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, methyl ester, hydrochlorideNicotinic acid, 1,2,5,6-tetrahydro-, methyl ester, hydrochlorideRefChem:166544DTXCID40133487Nicotinic acid, 1,2,5,6-tetrahydro-, methyl ester, hydrochloride (7CI)Methyl 1,2,5,6-tetrahydropyridine-3-carboxylate hydrochlorideGuvacoline (hydrochloride)

이름 더 보기

Norarecoline hydrochloridemethyl 1,2,3,6-tetrahydropyridine-5-carboxylate,hydrochloridemAChR,Inhibitor,Guvacoline hydrochloride,Guvacoline,inhibit,Muscarinic acetylcholine receptor

MFCD01692012Guvacoline HClmethyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, methyl ester,hydrochloridemethyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate hydrochlorideorb1220574orb1301474SCHEMBL3017447

데이터베이스 식별자

CAS: 6197-39-3
PubChem CID: 201540
DTXSID: DTXSID10210996
EC Number: 854-692-1

물성

구조 계산 물성

극성 표면적: 38.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 121 · 121-122 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 에 용해됨DMSO
물리적 상태: 고체
색상: 연노랑
주요 응용: 음식 및 음료제약
InChI: InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-3-2-4-8-5-6;/h3,8H,2,4-5H2,1H3;1H
InChIKey: ZWALOEQHJRUTKM-UHFFFAOYSA-N
SMILES: C1NCCC=C1C(OC)=O.[H]Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: WGK 3
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Guvacoline Hydrochloride is an intermediate in the synthesis of N-Nitrosoguvacoline (N527625), one of the N-nitrosation products of arecoline. It is the only one N-nitrosamine found in Taiwanese betel quid chewing saliva. It is used as a standard for the determination of Nitrosamine in tobacco smoke.