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Substance Name: Hexanoic acid, 6-(5-(1-propenyl)-11H-benzo(5,6)cyclohepta(1,2-c)pyridin-11-ylidene)-
RN: 127653-93-4
InChIKey: QIOHYRIBSZXBHF-BZEAQPNJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H23-N-O2

Molecular Weight

  • 345.4397
 
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Names and Synonyms

Synonym

  • 6-(5-(1-Propenyl)-11H-benzo(5,6)cyclohepta(1,2-c)pyridin-11-ylidene)hexanoic acid

Systematic Name

  • Hexanoic acid, 6-(5-(1-propenyl)-11H-benzo(5,6)cyclohepta(1,2-c)pyridin-11-ylidene)-

Registry Numbers

CAS Registry Number

  • 127653-93-4

System Generated Number

  • 0127653934

Structure Descriptors

InChI

1S/C23H23NO2/c1-2-8-17-15-18-9-6-7-10-19(18)21(11-4-3-5-12-23(25)26)22-16-24-14-13-20(17)22/h2,6-11,13-16H,3-5,12H2,1H3,(H,25,26)/b8-2+,21-11+

InChIKey

QIOHYRIBSZXBHF-BZEAQPNJSA-N

Smiles

C/C=C/C1=Cc2ccccc2/C(=C\CCCCC(=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,