(R,S)-N2-Nitroso-anabasine Triacetyl-N’-b-D-glucuronide Methyl Ester Bromide

Ref. TR-N524263

Product Information

• Name: (R,S)-N2-Nitroso-anabasine Triacetyl-N’-b-D-glucuronide Methyl Ester Bromide
• Synonyms: 3-(1-Nitrosopiperidin-2-yl)-1-((2R,3R,4S,5S,6S)-3,4,5-triacetoxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)pyridin-1-ium Bromide

Description

Applications (R,S)-N2-Nitroso-anabasine Triacetyl-N’-β-D-glucuronide Methyl Ester Bromide is an intermediate in synthesizing (R,S)-N2-Nitroso-Anabasine N’-β-D-Glucuronide (N524265), a derivative of (R,S)-N-Nitroso Anatabin, a metabolite of tobacco, a specific N-nitrosamines. (R,S)-N-Nitroso Anatabine shows mutagenic effects.
References Hoffmann, D., et al.: Cancer Res., 39, 2505 (1979); Hecht, S., et al.: Chem. Res. Toxicol., 11, 559 (1998); Hecht, S., et al.: Mutation. Res., 424, 127 (1999); Wang, M., et al.: Chem. Res. Toxicol., 16, 616 (2003)

• Brand: TRC

Chemical properties

• Molecular weight: 588.4
• Formula: C₂₃H₃₀BrN₃O₁₀
• InChI: InChI=1S/C23H30N3O10.BrH/c1-13(27)33-18-19(34-14(2)28)21(23(30)32-4)36-22(20(18)35-15(3)29)25-10-7-8-16(12-25)17-9-5-6-11-26(17)24-31;/h7-8,10,12,17-22H,5-6,9,11H2,1-4H3;1H/q+1;/p-1/t17?,18-,19-,20+,21-,22+;/m0./s1
• InChI key: InChIKey=WOPJCYDTUOJTDH-UHFFFAOYSA-N
• SMILES: O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.[K]