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Substance Name: 2,6-Pyridinedicarboxylic acid, 2-hydroxy-4-sulfo-, copper complex
RN: 104571-38-2
InChIKey: QVWMTPOXMAORRQ-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H7-Cu-N-O10-S.H.Na

Molecular Weight

  • 468.8162
 
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Names and Synonyms

Results Name

  • 2,6-Pyridinedicarboxylic acid, 2-hydroxy-4-sulfo-, copper complex

Synonyms

  • 2,6-Pyridinedicarboxylic acid, 2-hydroxy-4-sulfo-, copper complex
  • CU-Pda-ssa

Systematic Name

  • Cuprate(2-), (2-hydroxy-4-sulfobenzoato(2-)-O(sup 1),O(sup 2))(2,6-pyridinedicarboxylato(2-)-N(sup 1),O(sup 2),O(sup 6))-, sodium hydrogen

Registry Numbers

CAS Registry Number

  • 104571-38-2

System Generated Number

  • 0104571382

Molecular Formulas

Molecular Formula

  • C14-H7-Cu-N-O10-S.H.Na

Molecular Formula Fragments

  • C14-H7-Cu-N-O10-S
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/C7H5NO4.C7H6O6S.Cu.Na/c9-6(10)4-2-1-3-5(8-4)7(11)12;8-6-3-4(14(11,12)13)1-2-5(6)7(9)10;;/h1-3H,(H,9,10)(H,11,12);1-3,8H,(H,9,10)(H,11,12,13);;/q;;+2;+1/p-3

InChIKey

QVWMTPOXMAORRQ-UHFFFAOYSA-K

Smiles

[Na+].Oc1cc2ccc1C(=O)O[Cu-2]3(OC(=O)c4cccc(n4)C(=O)O3)OS2(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   Indian Drugs. Vol. 23, Pg. 490, 1986.