10-methoxy-5H-dibenz(b,f)azepine-5-carboxamide

HCID 120031CAS 28721-09-7

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Grundinformationen

Standard-SMILES: COC1=Cc2ccccc2N(C(N)=O)c2ccccc21
InChIKey: PIZOFBKQWNPKDK-UHFFFAOYSA-N
Summenformel: C16H14N2O2
Durchschnittliche Molmasse: 266,29 g/mol
Monoisotopische Masse: 266,10552769

Namen und Bezeichner

Bevorzugter Name: 10-methoxy-5H-dibenz(b,f)azepine-5-carboxamide
IUPAC: 5-methoxybenzo[b][1]benzazepine-11-carboxamide
Englischer Name: 10-Methoxycarbamazepine
Summenformel: C16H14N2O2
Molmasse: 266.29

Namen und Synonyme

28721-09-710-Methoxycarbamazepine10-Methoxy-5H-dibenz[b,f]azepine-5-carboxamideQ13NU3QR2X5H-Dibenz[b,f]azepine-5-carboxamide, 10-methoxy-5H-Dibenz(b,f)azepine-5-carboxamide, 10-methoxy-DTXSID9018288410-Methoxy-5H-dibenz(b,f)azepine-5-carboxamideRefChem:437044DTXCID30105375249-189-310-methoxy-5h-dibenzo[b,f]azepine-5-carboxamide

Weitere Namen anzeigen

Oxcarbazepine-2P2X4 antagonist-5OXCARBAZEPINE EP IMP BOxcarbazepine Impurity 6Oxcarbazepine IMpurity COxcarbazepine impurities3Oxcarbazepine impurities103

10-Methoxy CarbamazepineOxcarbazepine EP Impurity B5-methoxybenzo[b][1]benzazepine-11-carboxamideMFCD08460125Oxcarbazepine EP IMpurity B;CHEMBL310336810-Methoxy-5H-dibenz[b,f] azepine-5-carboxamideUNII-Q13NU3QR2X

Datenbank-Bezeichner

CAS: 28721-09-7
PubChem CID: 120031
DTXSID: DTXSID90182884
ChEMBL: CHEMBL3103368
UNII: Q13NU3QR2X
EC Number: 249-189-3
Nikkaji: J286.446K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 55,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 20
Formalladung: 0
Komplexität: 407

Physikochemische Eigenschaften

Schmelzpunkt: 186 · 186-188°C
Siedepunkt: 468 · 468.0±55.0 °C(Predicted)
Dichte: 1.31 · 1.31
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 13.86 · 13.86±0.40(Predicted)
Aggregatzustand: Solid
Farbe: Off-White
Major Application: pharmaceutical small molecule
CAS Datenbank: 28721 · 28721-09-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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.；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.