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2301113-15-3

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2301113-15-3 Structure

2301113-15-3 Structure
IdentificationBack Directory
[Name]

INDEX NAME NOT YET ASSIGNED
[CAS]

2301113-15-3
[Synonyms]

Roxadustat Impurity 3
Roxadustat Impurity GJJ
(1a-methyl-6-oxo-3-phenoxy-1,1a,6,6a-tetrahydroindeno[1,2-b]azirine-6a-carbonyl)glycine
2-(1a-methyl-6-oxo-3-phenoxy-1,1a,6,6a-tetrahydroindeno[1,2-b]azirine-6a-carboxamido)acetic acid
[Molecular Formula]

C19H16N2O5
[MOL File]

2301113-15-3.mol
[Molecular Weight]

352.35
Chemical PropertiesBack Directory
[Boiling point ]

659.6±55.0 °C(Predicted)
[density ]

1.461±0.06 g/cm3(Predicted)
[pka]

3.59±0.10(Predicted)
[InChI]

InChI=1S/C19H16N2O5/c1-18-14-9-12(26-11-5-3-2-4-6-11)7-8-13(14)16(24)19(18,21-18)17(25)20-10-15(22)23/h2-9,21H,10H2,1H3,(H,20,25)(H,22,23)
[InChIKey]

FVAHIAYRPGZSDE-UHFFFAOYSA-N
[SMILES]

C(C12C(C3=CC=C(OC4C=CC=CC=4)C=C3C1(C)N2)=O)(=O)NCC(=O)O
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