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2868258-96-0

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2868258-96-0 Structure

2868258-96-0 Structure
IdentificationBack Directory
[Name]

1-Pyrrolidinecarboxylic acid, 3-(2-bromoacetyl)-4-ethyl-, phenylmethyl ester, (3S,4S)-
[CAS]

2868258-96-0
[Synonyms]

Roxadustat Impurity 88
Upadacitinib Impurity 38
Benzyl (3S,4S)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate
1-Pyrrolidinecarboxylic acid, 3-(2-bromoacetyl)-4-ethyl-, phenylmethyl ester, (3S,4S)-
[Molecular Formula]

C16H20BrNO3
[MOL File]

2868258-96-0.mol
[Molecular Weight]

354.24
Chemical PropertiesBack Directory
[Boiling point ]

453.1±45.0 °C(Predicted)
[density ]

1.361±0.06 g/cm3(Predicted)
[pka]

-2.91±0.60(Predicted)
[InChI]

InChI=1S/C16H20BrNO3/c1-2-13-9-18(10-14(13)15(19)8-17)16(20)21-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14-/m1/s1
[InChIKey]

QEFUCTKHMXMWRF-ZIAGYGMSSA-N
[SMILES]

N1(C(OCC2=CC=CC=C2)=O)C[C@@H](CC)[C@H](C(CBr)=O)C1
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