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ChemicalBook--->CAS DataBase List--->536759-91-8

536759-91-8

536759-91-8 Structure

536759-91-8 Structure
IdentificationBack Directory
[Name]

ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
[CAS]

536759-91-8
[Synonyms]

EOS-61014
Apixaban iMpurityG
RSYY(Apremilast)-5
-6-(4-nitrophenyl)
Apixaban Impurity 80
Apixaban Related Compound-F
Apixaban impurity BMS-589154
ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-te...
-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
4,5,6,7-Ttrahyd-1-4-mp-6-4-np-7-ox-1h-pyzl[3,4-c] pydn-3-ca etyl estr
ethyl1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3boxylate
4,5,6,7-Tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-
Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin
Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3
Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate
4,5,6,7-Tetrahydro-1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxyl
ethyl 1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
1H-Pyrazolo[3,4-c]pyridine-3-carboxylicacid,4,5,6,7-tetrahydro-1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-,ethylester
4,5,6,7-Tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl este
4,5,6,7-Tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester
Apixaban Impurity 3 ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7- tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate
[EINECS(EC#)]

611-033-0
[Molecular Formula]

C22H20N4O6
[MDL Number]

MFCD18251627
[MOL File]

536759-91-8.mol
[Molecular Weight]

436.42
Chemical PropertiesBack Directory
[Melting point ]

190-192°C
[Boiling point ]

658.7±55.0 °C(Predicted)
[density ]

1.40
[vapor pressure ]

0Pa at 25℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

-3.80±0.20(Predicted)
[color ]

Pale Brown to Light Orange
[InChI]

InChI=1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3
[InChIKey]

RQNAOIQEGPVYTC-UHFFFAOYSA-N
[SMILES]

C1(=O)N(C2=CC=C([N+]([O-])=O)C=C2)CCC2C(C(OCC)=O)=NN(C3=CC=C(OC)C=C3)C1=2
[LogP]

3.59 at 23℃ and pH6.57
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H227
[Precautionary statements ]

P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Hazard InformationBack Directory
[Uses]

Ethyl 1-(4-Methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate is an intermediate in the synthesis 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 disorder or with atrial fibrillation
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