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trans-3'-Hydroxy Cotinine N-beta-D-Glucuronide
[CAS# 146275-18-5]

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Identification
Name trans-3'-Hydroxy Cotinine N-beta-D-Glucuronide
Synonyms TRANS-3'-HYDROXY COTININE O-Î’-D-GLUCURONIDE; trans-3-hydroxycotinine-glucuronide; CPD-2752
Molecular Structure CAS#: 146275-18-5, trans-3'-Hydroxy Cotinine N-beta-D-Glucuronide
Molecular Formula C16H20N2O8
Molecular Weight 368.34
CAS Registry Number 146275-18-5
SMILES O=C3N(C)C(c1cccnc1)CC3OC2OC(C(=O)O)C(O)C(O)C2O
InChI 1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)
InChIKey WALNNKZUGHYSCT-UHFFFAOYSA-N
Properties
Density 1.587g/cm3 (Cal.)
Boiling point 699.245°C at 760 mmHg (Cal.)
Flash point 376.69°C (Cal.)
Refractive index 1.653 (Cal.)
Market Analysis Reports
List of Reports Available for trans-3'-Hydroxy Cotinine N-beta-D-Glucuronide
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