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Substance Name: Nequinate [USAN:INN]
RN: 13997-19-8
UNII: 91ZE013933
InChIKey: NNOPDLNHPOLRRE-UHFFFAOYSA-N

Classification Code

  • Coccidiostat (for Poultry)

Molecular Formula

  • C22-H23-N-O4

Molecular Weight

  • 365.427
 
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Names and Synonyms

Name of Substance

  • Nequinate
  • Nequinate [USAN:INN]

Synonyms

  • AI3-52600
  • AY 20,385
  • AY 20385
  • AY-20,385
  • EINECS 237-796-6
  • ICI 55,052
  • ICI 55052
  • Methyl 7-(benzyloxy)-6-butyl-1,4-dihydro-4-oxo-3-quinolinecarboxylate
  • Methyl benzoquate
  • Nequinate
  • Nequinato
  • Nequinato [INN-Spanish]
  • Nequinatum
  • Nequinatum [INN-Latin]
  • UNII-91ZE013933

Systematic Names

  • 3-Quinolinecarboxylic acid, 6-butyl-1,4-dihydro-4-oxo-7-(phenylmethoxy)-, methyl ester
  • Nequinate

Registry Numbers

CAS Registry Number

  • 13997-19-8

FDA UNII

  • 91ZE013933

System Generated Number

  • 0013997198

Structure Descriptors

InChI

1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)

InChIKey

NNOPDLNHPOLRRE-UHFFFAOYSA-N

Smiles

c12c(cc(OCc3ccccc3)c(c2)CCCC)[nH]cc(c1=O)C(OC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 287.5 deg C   EXP
log P (octanol-water) 6.560 (none)   EST
Atmospheric OH Rate Constant 8.55E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.