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Substance Name: Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
RN: 127653-91-2
InChIKey: ZDXACVCXNPYEBJ-OVCLIPMQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O3

Molecular Weight

  • 350.4158
 
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Names and Synonyms

Synonyms

  • 11-(7-Carboxyheptylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one monohydrate
  • 8-(5,6-Dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)octanoic acid

Systematic Name

  • Octanoic acid, 8-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-

Registry Numbers

CAS Registry Number

  • 127653-91-2

System Generated Number

  • 0127653912

Structure Descriptors

InChI

1S/C21H22N2O3/c24-20(25)11-5-3-1-2-4-8-15-16-9-6-7-10-19(16)23-21(26)17-12-13-22-14-18(15)17/h6-10,12-14H,1-5,11H2,(H,23,26)(H,24,25)/b15-8+

InChIKey

ZDXACVCXNPYEBJ-OVCLIPMQSA-N

Smiles

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