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Substance Name: 1H-Azepinium, hexahydro-1-(3-(5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-3-oxopropyl)-1-methyl-, iodide
RN: 96437-82-0
InChIKey: IXQSNGXLLPCRDZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N4-O2.I

Molecular Weight

  • 506.3813
 
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Names and Synonyms

  • 1H-Azepinium, hexahydro-1-(3-(5,6-dihydro-6-oxo-11H-pyrido(2,3-b)(1,4)benzodiazepin-11-yl)-3-oxopropyl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 96437-82-0

System Generated Number

  • 0096437820

Molecular Formulas

Molecular Formula

  • C22-H27-N4-O2.I

Molecular Formula Fragments

  • C22-H27-N4-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C22H26N4O2.HI/c1-26(14-6-2-3-7-15-26)16-12-20(27)25-19-11-5-4-9-17(19)22(28)24-18-10-8-13-23-21(18)25;/h4-5,8-11,13H,2-3,6-7,12,14-16H2,1H3;1H

InChIKey

IXQSNGXLLPCRDZ-UHFFFAOYSA-N

Smiles

n1(c2c(c(=O)[nH]c3c1nccc3)cccc2)C(=O)CC[N+]1(C)CCCCCC1.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4594190,