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Substance Name: Hexanoic acid, 6-(11-(methylthio)-5H-pyrido(4,3-c)(1)benzazepin-5-ylidene)-
RN: 127654-12-0
InChIKey: QKTCHWICXVEBCE-AUWJEWJLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-N2-O2-S

Molecular Weight

  • 352.456
 
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Names and Synonyms

Synonyms

  • 5-(5-Carboxypentylidene)-11-thiomethyl-5H-pyrido(3,4-c)(1)benzazepin
  • 6-(11-(Methylthio)-5H-pyrido(4,3-c)(1)benzazepin-5-ylidene)hexanoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127654-12-0

System Generated Number

  • 0127654120

Structure Descriptors

InChI

1S/C20H20N2O2S/c1-25-20-17-13-21-12-11-15(17)14(7-3-2-4-10-19(23)24)16-8-5-6-9-18(16)22-20/h5-9,11-13H,2-4,10H2,1H3,(H,23,24)/b14-7-

InChIKey

QKTCHWICXVEBCE-AUWJEWJLSA-N

Smiles

CSC1=Nc2ccccc2/C(=C\CCCCC(=O)O)/c3c1cncc3

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,