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Substance Name: Hexanoic acid, 6-(5,6-dihydro-5-oxo-6-(phenylmethyl)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, monohydrate, (Z)-
RN: 127654-01-7
InChIKey: LSCULPZBOQGENX-JAIQZWGSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H24-N2-O3.H2-O

Molecular Weight

  • 412.4866
 
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Names and Synonyms

Synonym

  • (Z)-6-Benzyl-11-(5-carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one H2O

Systematic Name

  • Hexanoic acid, 6-(5,6-dihydro-5-oxo-6-(phenylmethyl)-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, monohydrate, (Z)-

Registry Numbers

CAS Registry Number

  • 127654-01-7

System Generated Number

  • 0127654017

Molecular Formulas

Molecular Formula

  • C26-H24-N2-O3.H2-O

Molecular Formula Fragments

  • C26-H24-N2-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H24N2O3/c29-25(30)14-6-2-5-11-20-21-12-7-8-13-24(21)28(18-19-9-3-1-4-10-19)26(31)22-15-16-27-17-23(20)22/h1,3-4,7-13,15-17H,2,5-6,14,18H2,(H,29,30)/b20-11-

InChIKey

LSCULPZBOQGENX-JAIQZWGSSA-N

Smiles

c1ccc(cc1)CN2c3ccccc3/C(=C/CCCCC(=O)O)/c4cnccc4C2=O

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,