Norarecoline Hydrochloride

HCID 201540CAS 6197-39-3

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Grundinformationen

Standard-SMILES: COC(=O)C1=CCCNC1.Cl
InChIKey: ZWALOEQHJRUTKM-UHFFFAOYSA-N
Summenformel: C7H12ClNO2
Durchschnittliche Molmasse: 177,63 g/mol
Monoisotopische Masse: 177,0556563

Namen und Bezeichner

Bevorzugter Name: Norarecoline Hydrochloride
IUPAC: methyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride
Englischer Name: Methyl 1,2,5,6-Tetrahydropyridine-3-carboxylate Hydrochloride
Summenformel: C7H12ClNO2
Molmasse: 177.62868

Namen und Synonyme

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)

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 121 · 121-122 °C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO
Aggregatzustand: Solid
Farbe: Light yellow
Major Application: food and beveragespharmaceutical
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenGuvacoline 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.