Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Oxalin
RN: 75848-21-4
InChIKey: YWOVNQGAAPYBQA-UHFFFAOYSA-K

Molecular Formula

  • C16-H11-Cu-N-O4.C12-H13-N-O2-S.C9-H9-N3-O2

Molecular Weight

  • 771.3067
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Oxalin

Synonyms

  • IPO 2526
  • IPO 2527
  • IPO 2529
  • Oxalin
  • Oxalin K

Systematic Name

  • Copper, (2-hydroxybenzoato-O1,O2)(8-quinolinolato-N1,O8)-, mixt. with 5,6-dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide and methyl 1H-benzimidazol-2-ylcarbamate

Registry Numbers

CAS Registry Number

  • 75848-21-4

System Generated Number

  • 0075848214

Molecular Formulas

Molecular Formula

  • C16-H11-Cu-N-O4.C12-H13-N-O2-S.C9-H9-N3-O2

Molecular Formula Fragments

  • C12-H13-N-O2-S
  • C16-H11-Cu-N-O4
  • C9-H9-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H13NO2S.C9H9N3O2.C9H7NO.C7H6O3.Cu/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10;1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8;11-8-5-1-3-7-4-2-6-10-9(7)8;8-6-4-2-1-3-5(6)7(9)10;/h2-6H,7-8H2,1H3,(H,13,14);2-5H,1H3,(H2,10,11,12,13);1-6,11H;1-4,8H,(H,9,10);/q;;;;+3/p-3

InChIKey

YWOVNQGAAPYBQA-UHFFFAOYSA-K

Smiles

CC1=C(SCCO1)C(=O)Nc2ccccc2.COC(=O)Nc1[nH]c2ccccc2n1.c1ccc2c(c1)C(=O)[O-][Cu+2]3(O2)N4=CC=Cc5c4c(ccc5)[O-]3