O-Demethyl apixaban sulfate
Grundinformationen
- CAS
1118765-14-2- Standard-SMILES
NC(=O)c1nn(-c2ccc(OS(=O)(=O)O)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O- InChIKey
HRIFVOGTDGFZKP-UHFFFAOYSA-N- Summenformel
- C24H23N5O7S
- Durchschnittliche Molmasse
- 525,5 g/mol
- Monoisotopische Masse
- 525,13181926
Namen und Bezeichner
- Bevorzugter Name
- O-Demethyl apixaban sulfate
- IUPAC
- [4-[3-carbamoyl-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]phenyl] hydrogen sulfate
- Englischer Name
- O-DesmethylApixabanSulphateNa
- Summenformel
- C24H23N5O7S
- Molmasse
- 525.53
Namen und Synonyme
O-Demethyl apixaban sulfate1118765-14-2Apixaban (m1)Apixaban (metabolite m1)O-DesmethylApixabanSulfate1H-Pyrazolo(3,4-C)pyridine-3-carboxamide, 4,5,6,7-tetrahydro-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-1-(4-(sulfooxy)phenyl)-939YP1ZX38[4-[3-carbamoyl-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]phenyl] hydrogen sulfate4-(3-carbamoyl-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl)phenyl hydrogen sulfateO-Desmethyl Apixaban SulfateUNII-939YP1ZX38Apixaban Impurity 242
Weitere Namen anzeigen
Apixaban Impurity 105O-DesmethylApixabanSulphateNa4,5,6,7-Tetrahydro-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1-[4-(sulfooxy)phenyl]-1H-pyrazolo[3,4-c]pyridine-3-carboxamide1H-Pyrazolo[3,4-c]pyridine-3-carboxamide, 4,5,6,7-tetrahydro-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1-[4-(sulfooxy)phenyl]-
orb1738051O-Desmethylapixaban-sulfate (M1)Q27271584O-Demethyl apixaban sulfate, Apixaban (metabolite M1), Apixaban (M1)1H-Pyrazolo[3,4-c]pyridine-3-carboxamide,4,5,6,7-tetrahydro-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1-[4-(sulfooxy)phenyl]-
Datenbank-Bezeichner
- CAS
1118765-14-2- PubChem CID
- 91667715
- UNII
- 939YP1ZX38
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 174 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 988
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Metabolite of Apixaban
Physikochemische Eigenschaften
- Dichte
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- -4.98 · -4.98±0.18(Predicted)
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
Chemie und Industrie
Anwendungen
VerwendenO-Desmethyl Apixaban Sulfate is an impurity of Apixaban (A726700), is 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 disorder or with atrial fibrillation.
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