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Substance Name: Hexanoic acid, 6-(6-methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)-, (E)-
RN: 127654-04-0
InChIKey: NNJWBTXUDRAEII-VIZOYTHASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H20-N2-O3

Molecular Weight

  • 336.389
 
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Names and Synonyms

Synonyms

  • (E)-11-(5-Carboxypentylidene)-6-methoxy-11H-pyrido(4,3-c)(2)benzazepin
  • (E)-6-(6-Methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)hexanoic acid

Systematic Name

  • Hexanoic acid, 6-(6-methoxy-11H-pyrido(4,3-c)(2)benzazepin-11-ylidene)-, (E)-

Registry Numbers

CAS Registry Number

  • 127654-04-0

System Generated Number

  • 0127654040

Structure Descriptors

InChI

1S/C20H20N2O3/c1-25-20-16-9-6-5-8-14(16)15(7-3-2-4-10-19(23)24)17-13-21-12-11-18(17)22-20/h5-9,11-13H,2-4,10H2,1H3,(H,23,24)/b15-7+

InChIKey

NNJWBTXUDRAEII-VIZOYTHASA-N

Smiles

COC1=Nc2ccncc2/C(=C/CCCCC(=O)O)/c3c1cccc3

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,