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Basic Information
CAS No.: 89947-76-2
Name: N-hydroxy-N-glucuronosyl-2-aminofluorene
Molecular Structure:
Molecular Structure of 89947-76-2 (N-hydroxy-N-glucuronosyl-2-aminofluorene)
Formula: C19H19 N O7
Molecular Weight: 373.39
Synonyms: N-hydroxy-N-glucuronosyl-2-aminofluorene;N-HYDROXY-N-GLUCONSID-2-AMINOFLUORENE
Density: 1.666g/cm3
Boiling Point: 721.2°C at 760 mmHg
Flash Point: 389.9°C
Safety: Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 130.69000
LogP: 0.34560
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Chemistry

Empirical Formula of N-Hydroxy-N-glucuronosyl-2-aminofluorene (CAS NO.89947-76-2): C19H19NO7
Molecular Weight: 373.3567 
Index of Refraction: 1.778
Density: 1.666 g/cm3
Flash Point: 389.9 °C
Enthalpy of Vaporization: 110.59 kJ/mol
Boiling Point: 721.2 °C at 760 mmHg
Vapour Pressure: 7.91E-22 mmHg at 25 °C
Structure of N-Hydroxy-N-glucuronosyl-2-aminofluorene (CAS NO.89947-76-2):
                              
IUPAC Name: (2S,3S,4S,5R,6R)-6-[9H-Fluoren-2-yl(hydroxy)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)N(C4C(C(C(C(O4)C(=O)O)O)O)O)O
Isomeric SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)N([C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
InChI: InChI=1S/C19H19NO7/c21-14-15(22)17(19(24)25)27-18(16(14)23)20(26)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14-18,21-23,26H,7H2,(H,24,25)/t14-,15-,16+,17-,18+/m0/s1
InChIKey: OFKGQSVPFXNLIL-IECFSIQFSA-N

Toxicity Data With Reference

1.    

dns-hmn:oth 100 nmol/L

     JJIND8    JNCI, Journal of the National Cancer Institute. 72 (1984),847.

Safety Profile

Questionable carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition N-Hydroxy-N-glucuronosyl-2-aminofluorene (CAS NO.89947-76-2) emits toxic fumes of NOx.

Specification

 N-Hydroxy-N-glucuronosyl-2-aminofluorene , its cas register number is 89947-76-2. It also can be called 1-Deoxy-1-(9H-fluoren-2-ylhydroxyamino)-beta-D-glucopyranuronic acid ; N-Glucuronide of N-hydroxy-2-aminofluorene ; Glucuronic acid, 1-deoxy-1-(2-fluorenylhydroxyamino)- ; and N-Hydroxy-2-aminofluorene N-glucuronide .