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N-Hydroxyphenacetin Glucuronide
[CAS# 69783-19-3]

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CAS#: 69783-19-3
Product: N-Hydroxyphenacetin Glucuronide
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Identification
Name N-Hydroxyphenacetin Glucuronide
Synonyms (2S,3S,4S,5R,6S)-6-[Acetyl-(4-Ethoxyphenyl)Amino]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[Acetyl-(4-Ethoxyphenyl)Amino]Oxy-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[Ethanoyl-(4-Ethoxyphenyl)Amino]Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
Molecular Structure CAS#: 69783-19-3, N-Hydroxyphenacetin Glucuronide
Molecular Formula C16H21NO9
Molecular Weight 371.34
CAS Registry Number 69783-19-3
SMILES [C@H]2(ON(C1=CC=C(C=C1)OCC)C(=O)C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)C(=O)O
InChI 1S/C16H21NO9/c1-3-24-10-6-4-9(5-7-10)17(8(2)18)26-16-13(21)11(19)12(20)14(25-16)15(22)23/h4-7,11-14,16,19-21H,3H2,1-2H3,(H,22,23)/t11-,12-,13+,14-,16-/m0/s1
InChIKey CGQCCRQISHOSGC-HAFSJTIUSA-N
Properties
Density 1.508g/cm3 (Cal.)
Boiling point 618.31°C at 760 mmHg (Cal.)
Flash point 327.742°C (Cal.)
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