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Substance Name: Hexanoic acid, 6-(10,11-dihydro-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-, (E)-
RN: 127654-13-1
InChIKey: RYECQOGZYCCCMF-AWNIVKPZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-N2-O3

Molecular Weight

  • 322.3622
 
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Names and Synonyms

Synonyms

  • (E)-5-(5-Carboxypentylidene)-5,11-dihydropyrido(3,4-c)(1)benzazepin-11(10H)-one
  • (E)-6-(10,11-Dihydro-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)hexanoic acid
  • 5H-Pyrido(3,4-c)(1)benzazepine, hexanoic acid deriv.

Systematic Name

  • Hexanoic acid, 6-(10,11-dihydro-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-, (E)-

Registry Numbers

CAS Registry Number

  • 127654-13-1

System Generated Number

  • 0127654131

Structure Descriptors

InChI

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

InChIKey

RYECQOGZYCCCMF-AWNIVKPZSA-N

Smiles

c1ccc2c(c1)/C(=C/CCCCC(=O)O)/c3ccncc3C(=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,