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Empirical Formula of N-Hydroxy-2-acetylaminofluorene-O-glucuronide (CAS NO.2495-54-7): C21H21NO8
Molecular Weight: 415.3933
Index of Refraction: 1.708
Density: 1.57 g/cm3
Flash Point: 378.8 °C
Enthalpy of Vaporization: 107.99 kJ/mol
Boiling Point: 702.7 °C at 760 mmHg
Vapour Pressure: 1E-20 mmHg at 25 °C
Structure of N-Hydroxy-2-acetylaminofluorene-O-glucuronide (CAS NO.2495-54-7):
IUPAC Name: (2S,3S,4S,5R,6S)-6-[Acetyl(9H-fluoren-2-yl)amino]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES: CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)OC4C(C(C(C(O4)C(=O)O)O)O)O
Isomeric SMILES: CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI: InChI=1S/C21H21NO8/c1-10(23)22(30-21-18(26)16(24)17(25)19(29-21)20(27)28)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,16-19,21,24-26H,8H2,1H3,(H,27,28)/t16-,17-,18+,19-,21-/m0/s1
InChIKey: VPBPTHOOANATTD-UNJWAJPSSA-N
Questionable carcinogen with experimental carcinogenic data. When heated to decomposition N-Hydroxy-2-acetylaminofluorene-O-glucuronide (CAS NO.2495-54-7) emits toxic fumes of NOx.
N-Hydroxy-2-acetylaminofluorene-O-glucuronide , its cas register number is 2495-54-7. It also can be called O-Glucuronide, N-hydroxy-2-acetylaminofluorene ; Acetohydroxamic acid, fluoren-2-yl-O-glucuronide ; N-2-Fluorenylhydroxylamine ; and 1-((Acetyl-9H-fluoren-2-ylamino)oxy)-1-deoxy-beta-D-glucopyranuronic acid .