Guvacine Hydrochloride

HCID 11957555

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Grundinformationen

CAS: 6027-91-4
Standard-SMILES: Cl.O=C(O)C1=CCCNC1
InChIKey: FGNUNVVTHHKDAM-UHFFFAOYSA-N
Summenformel: C6H10ClNO2
Durchschnittliche Molmasse: 163,6 g/mol
Monoisotopische Masse: 163,0400063

Namen und Bezeichner

Bevorzugter Name: Guvacine Hydrochloride
IUPAC: 1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride
Englischer Name: Guvacine hydrochloride
Summenformel: C6H10ClNO2
Molmasse: 163.6021

Namen und Synonyme

Guvacine hydrochlorideRefChem:4110326027-91-41,2,5,6-tetrahydropyridine-3-carboxylic acid hydrochloride1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid hydrochlorideGuvacine HClMFCD000551911,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride1,2,5,6-Tetrahydro-3-pyridinecarboxylic Acid Hydrochloride1,2,3,6-Tetrahydropyridine-5-carboxylic acid hydrochloride3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, hydrochloride (1:1)MLS000859975

Weitere Namen anzeigen

1,2,5,6-Tetrahydro-Norareca alkaloid hydrochlorideGUVACINE HYDROCHLORIDE >96% \ GABA UPTAKGuvacine hydrochloride >=97% (NMR), solid3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, hydrochloride

SR-01000075614SMR000326834SPECTRUM1502126orb1299711SCHEMBL1057880CHEMBL1256362DTXSID801017446GLXC-07157

Datenbank-Bezeichner

CAS: 6027-91-4
PubChem CID: 11957555
DTXSID: DTXSID801017446
ChEMBL: CHEMBL1256362
EC Number: 637-422-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 151

Experimentelle und physikochemische Eigenschaften

Solubility>24.5 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 316 °C · 316 °C (decomp)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 2 O: · H2O: soluble
Aggregatzustand: solid
Farbe: white
Wasserlöslichkeit: 2 O: · H2O: solubleethanol: slightly soluble
InChI: InChI=1S/C6H9NO2.ClH/c8-6(9)5-2-1-3-7-4-5;/h2,7H,1,3-4H2,(H,8,9);1H
InChIKey: FGNUNVVTHHKDAM-UHFFFAOYSA-N
SMILES: C1(C(=O)O)CNCCC=1.[H]Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.