6-(5-Chlor-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-on

6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo(3,4-b)pyrazin-5-one

HCID 6451972CAS 43200-81-3

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Grundinformationen

Standard-SMILES: O=C1c2nccnc2C(O)N1c1ccc(Cl)cn1
InChIKey: FUUXOEKDNNWZTR-UHFFFAOYSA-N
Summenformel: C11H7ClN4O2
Durchschnittliche Molmasse: 262,65 g/mol
Monoisotopische Masse: 262,02575314

Namen und Bezeichner

Bevorzugter Name: 6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo(3,4-b)pyrazin-5-one
IUPAC: 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one
Lokaler Name: 6-(5-Chlor-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-on
Englischer Name: 6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one
Summenformel: C11H7ClN4O2
Molmasse: 262.65

Namen und Synonyme

6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo(3,4-b)pyrazin-5-oneRefChem:53947143200-81-36-(5-Chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-oneRP-29307EINECS 256-139-46-(5-chloropyridin-2-yl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-oneUNII-68396623QXMFCD026843216-(5-chloropyridin-2-yl)-5-hydroxy-7-oxo-5,6-dihydroprolo(3,4b)pyrazineZopiclone EP Impurity B

Weitere Namen anzeigen

ZOPIIRP 29307Zopiclone imp B4-b]pyrazin-5-oneEszopiclone Imp.BZopiclonereductantZopiclone intermediateZopiclone intermediates

SCHEMBL132089768396623QXZOPICLONE IMPURITY B [EP IMPURITY]6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one(Zopiclone Impurity)6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one6-(5-chloro-2-pyridyl)-7-hydroxy-6,7-dihydro-5h-pyrrolo[3,4-b]pyrazine-5-onC11H7ClN4O2Eszopiclone Impurity B

Datenbank-Bezeichner

CAS: 43200-81-3
PubChem CID: 6451972
DTXSID: DTXSID90866117
UNII: 68396623QX
EC Number: 256-139-4
Nikkaji: J319.918E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 79,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 343

Physikochemische Eigenschaften

Schmelzpunkt: 240.5 · 240.5-241.50C
Siedepunkt: 525.2 · 525.2±50.0 °C(Predicted)
Dichte: 1.653 · 1.653±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 8.62 · 8.62±0.20(Predicted)
Farbe: Off-White to Pale Beige
Major Application: pharmaceutical (small molecule)
InChI: InChI=1S/C11H7ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,10,17H
InChIKey: FUUXOEKDNNWZTR-UHFFFAOYSA-N
SMILES: C12C(O)N(C3=NC=C(Cl)C=C3)C(=O)C1=NC=CN=2
CAS Datenbank: 43200 · 43200-81-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (27.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.