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Substance Name: Pentanoic acid, 5-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
RN: 127653-90-1
InChIKey: OHOKOCUYERJWFG-LFYBBSHMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-N2-O3

Molecular Weight

  • 308.3354
 
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Names and Synonyms

Synonyms

  • 11-(4-Carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one
  • 5-(5,6-Dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)pentanoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127653-90-1

System Generated Number

  • 0127653901

Structure Descriptors

InChI

1S/C18H16N2O3/c21-17(22)8-4-2-5-12-13-6-1-3-7-16(13)20-18(23)14-9-10-19-11-15(12)14/h1,3,5-7,9-11H,2,4,8H2,(H,20,23)(H,21,22)/b12-5+

InChIKey

OHOKOCUYERJWFG-LFYBBSHMSA-N

Smiles

c1ccc2c(c1)/C(=C\CCCC(=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,