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Substance Name: Hexanoic acid, 6-(10,11-dihydro-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-
RN: 127654-20-0
InChIKey: BFKZRPSANUVRLW-SOFYXZRVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-N2-O2

Molecular Weight

  • 308.379
 
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Names and Synonyms

Synonyms

  • 5-(5-Carboxypentylidene)-5H-10,11-dihydropyrido(3,4-c)(1)benzazepin
  • 6-(10,11-Dihydro-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)hexanoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127654-20-0

System Generated Number

  • 0127654200

Structure Descriptors

InChI

1S/C19H20N2O2/c22-19(23)9-3-1-2-6-16-15-10-11-20-12-14(15)13-21-18-8-5-4-7-17(16)18/h4-8,10-12,21H,1-3,9,13H2,(H,22,23)/b16-6-

InChIKey

BFKZRPSANUVRLW-SOFYXZRVSA-N

Smiles

c1ccc2c(c1)/C(=C\CCCCC(=O)O)/c3ccncc3CN2

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,