3,5,6-Trichloro-2-pyridinol glucuronide
CAS Registry Number®
58997-12-9
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CAS Name
3,5,6-Trichloro-2-pyridinol glucuronideMolecular Formula
C11H10Cl3NO7Molecular Mass
374.56Cite this Page
3,5,6-Trichloro-2-pyridinol glucuronide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=58997-12-9 (retrieved ) (CAS RN: 58997-12-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C11H10Cl3NO7/c12-2-1-3(13)9(15-8(2)14)22-11-6(18)4(16)5(17)7(21-11)10(19)20/h1,4-7,11,16-18H,(H,19,20)/t4-,5-,6+,7-,11-/m0/s1
InChIKey
InChIKey=XIPKXSPRDJUGPJ-DEGUGSHBSA-N
SMILES
O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=C(Cl)C=C(Cl)C(Cl)=N2
Canonical SMILES
O=C(O)C1OC(OC2=NC(Cl)=C(Cl)C=C2Cl)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 3,5,6-trichloro-2-pyridinyl
- 3,5,6-Trichloro-2-pyridinol glucuronide
Deleted or Replaced CAS Registry Numbers
921761-29-7
