Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

HCID 22240493

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Grundinformationen

CAS: 473927-64-9
Standard-SMILES: CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(I)cc1)C2=O
InChIKey: DOONVRNBSUAOKN-UHFFFAOYSA-N
Summenformel: C22H20IN3O4
Durchschnittliche Molmasse: 517,3 g/mol
Monoisotopische Masse: 517,04985412

Namen und Bezeichner

Bevorzugter Name: Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate
IUPAC: ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
Englischer Name: 1-(4-Methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
Summenformel: C22H20IN3O4
Molmasse: 517.32

Namen und Synonyme

ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylateethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo(3,4-c)pyridine-3-carboxylateRefChem:595877807-879-7473927-64-9ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate1-(4-Methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl esterMFCD19442850C22H20IN3O4Ethyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carApixaban IVDOONVRNBSUAOKN-UHFFFAOYSA-N

Weitere Namen anzeigen

Apixaban Impurity 107Apixaban Impurity 133AXN-IIIQ: What is AXN-III Q: What is the CAS Number of AXN-IIIEthyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridineEthyl 6-(4-iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-1-(4-Methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxyli6-(4-iodophenyl)-1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

SCHEMBL1995178DTXSID10623729AKOS0159510771-(4-Methoxyphenyl)-6-(4-iodophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl esteDA-18709DS-17572SY112992CS-0009357

Datenbank-Bezeichner

CAS: 473927-64-9
PubChem CID: 22240493
DTXSID: DTXSID10623729
EC Number: 807-879-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,5
Polarare Oberfläche (TPSA): 73,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 6
Schwere Atome: 30
Formalladung: 0
Komplexität: 620

Physikochemische Eigenschaften

Siedepunkt: 649.4 · 649.4±55.0 °C(Predicted)
Dichte: 1.6 · 1.60
storage temp.: 2 · 2-8°C(protect from light)
pka: -0.78 · -0.78±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS ClassificationNot Classified

Gefahrenhinweise

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

Alarmwort: Achtung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenEthyl 6-(4-Iodophenyl)-1-(4-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate is an intermediate of Apixaban (A726700), a potent, direct, selective, and orally active inhibitor of coagulation factor Xa. It is a potential new oral coagulant that may be useful prevention of venous thromboembolism in total hip, knee replacement orthopedic surgery and stroke in treatment of patient with venous thromboembolic Jdisorder or with atrial fibrillation.