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Substance Name: Octanoic acid, 8-(5-(methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-
RN: 127653-92-3
InChIKey: GCORVIACQCRZLM-CXUHLZMHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-N2-O2-S

Molecular Weight

  • 380.5096
 
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Names and Synonyms

Synonym

  • 8-(5-(Methylthio)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)octanoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127653-92-3

System Generated Number

  • 0127653923

Structure Descriptors

InChI

1S/C22H24N2O2S/c1-27-22-18-13-14-23-15-19(18)16(17-10-7-8-11-20(17)24-22)9-5-3-2-4-6-12-21(25)26/h7-11,13-15H,2-6,12H2,1H3,(H,25,26)/b16-9+

InChIKey

GCORVIACQCRZLM-CXUHLZMHSA-N

Smiles

CSC1=Nc2ccccc2/C(=C\CCCCCCC(=O)O)/c3c1ccnc3

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,