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Substance Name: Hexanoic acid, 6-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, trihydrate, (Z)-
RN: 127653-97-8
InChIKey: OILSYRPXFDCZSX-MLPAPPSSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-N2-O3.3H2-O

Molecular Weight

  • 322.3622
 
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Names and Synonyms

Synonym

  • (Z)-11-(5-Carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one trihydrate

Systematic Name

  • Hexanoic acid, 6-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, trihydrate, (Z)-

Registry Numbers

CAS Registry Number

  • 127653-97-8

System Generated Number

  • 0127653978

Molecular Formulas

Molecular Formula

  • C19-H18-N2-O3.3H2-O

Molecular Formula Fragments

  • C19-H18-N2-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H18N2O3/c22-18(23)9-3-1-2-6-13-14-7-4-5-8-17(14)21-19(24)15-10-11-20-12-16(13)15/h4-8,10-12H,1-3,9H2,(H,21,24)(H,22,23)/b13-6-

InChIKey

OILSYRPXFDCZSX-MLPAPPSSSA-N

Smiles

c1ccc2c(c1)/C(=C/CCCCC(=O)O)/c3cnccc3C(=O)N2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4971964,
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4971964,