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Substance Name: 2(1H)-Quinolinone, 3-benzoyl-6-hexyl-4-hydroxy-, calcium salt (2:1)
RN: 90182-40-4
InChIKey: WZINNMKKNWGXNS-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N-O3.1/2Ca

Molecular Weight

  • 736.9176
 
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Names and Synonyms

Synonym

  • 3-Benzoyl-6-hexyl-4-hydroxy-2(1H)-quinolinone calcium salt (2:1)

Systematic Name

  • 2(1H)-Quinolinone, 3-benzoyl-6-hexyl-4-hydroxy-, calcium salt (2:1)

Registry Numbers

CAS Registry Number

  • 90182-40-4

System Generated Number

  • 0090182404

Molecular Formulas

Molecular Formula

  • C22-H23-N-O3.1/2Ca

Molecular Formula Fragments

  • C22-H23-N-O3
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C22H23NO3.Ca/c2*1-2-3-4-6-9-15-12-13-18-17(14-15)21(25)19(22(26)23-18)20(24)16-10-7-5-8-11-16;/h2*5,7-8,10-14H,2-4,6,9H2,1H3,(H2,23,25,26);/q;;+2/p-2

InChIKey

WZINNMKKNWGXNS-UHFFFAOYSA-L

Smiles

[Ca+2].CCCCCCc1ccc2NC(=O)C(=C([O-])c2c1)C(=O)c3ccccc3.CCCCCCc4ccc5NC(=O)C(=C([O-])c5c4)C(=O)c6ccccc6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4526894,