5-((4-(3-carbamoyl-1-(4-methoxy phenyl)-7-oxo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)phenyl) (nitroso) amino) pentanoic acid
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Includes: HPLC, MASS/LC-MS, 1H NMR, FT-IR, Potency, Structure Elucidation Report (SER), and additional analytical data depending on the product.

3094994-84-75-((4-(3-carbamoyl-1-(4-methoxy phenyl)-7-oxo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)phenyl) (nitroso) amino) pentanoic acid

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Catalogue No.:VE0012199
CAS No.:3094994-84-7
Mol. Formula:C25H26N6O6
Mol. Weight:506.51 g/mol

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100 mg $626.00
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Additional information on CAS 3094994-84-7

Parent drug

Apixaban

IUPAC Name

5-[4-[3-carbamoyl-1-(4-methoxyphen yl)-7-oxo-4,5-dihydropyrazolo[3,4-c]p yridin-6-yl]-N-nitrosoanilino]pentanoic acid

Pharmacopeial Synonyms

N/A

Synonyms

N-Nitroso Apixaban Amino Acid Impurity; Apixaban N-Nitroso Amino Pentanoic Acid Impurity

Smiles

O=C(O)CCCCN(C1=CC=C(N2CCC3=C(N(C4=CC=C(OC)C=C4)N=C3C(N)=O)C2=O)C=C1)N=O

InChI

InChI=1S/C25H26N6O6/c1-37-19-11-9-18(10-12-19)31-23-20(22(27-31)24(26)34)13-15-29(25(23)35)16-5-7-17(8-6-16)30(28-36)14-3-2-4-21(32)33/h5-12H,2-4,13-15H2,1H3,(H2,26,34)(H,32,33)

Description

5-((4-(3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)phenyl)(nitroso)amino)pentanoic acid, CAS 3094994-84-7, is a nitrosamine-related apixaban impurity with molecular formula C25H26N6O6 and molecular weight 506.51 g/mol. The structure contains an N-nitroso amino acid side chain appended to the apixaban scaffold, consistent with formation during nitrosating conditions, residual nitrite exposure, or process-related amine nitrosation. As a potential genotoxic impurity, it falls within the risk-based control concepts of ICH M7 and related nitrosamine guidance. Trace-level characterization commonly requires LC-MS/MS, high-resolution LC-MS, and orthogonal confirmation by impurity profiling methods, with careful control of ionization and fragmentation.

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