Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 6H-Cyclohepta(b)quinoline 7,8,9,10-tetrahydro-11-(4-methylhexahydro-1H-1,4-diazepin-1-yl)-, dioxalate, monohydrate
RN: 67238-95-3
InChIKey: BBNWGUZEPIUGAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N3.C4-H4-O8.H2-O

Molecular Weight

  • 489.522
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 6H-Cyclohepta(b)quinoline 7,8,9,10-tetrahydro-11-(4-methylhexahydro-1H-1,4-diazepin-1-yl)-, dioxalate, monohydrate

Registry Numbers

CAS Registry Number

  • 67238-95-3

System Generated Number

  • 0067238953

Molecular Formulas

Molecular Formula

  • C20-H27-N3.C4-H4-O8.H2-O

Molecular Formula Fragments

  • C20-H27-N3
  • C4-H4-O8
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H27N3.2C2H2O4/c1-22-12-7-13-23(15-14-22)20-16-8-3-2-4-10-18(16)21-19-11-6-5-9-17(19)20;2*3-1(4)2(5)6/h5-6,9,11H,2-4,7-8,10,12-15H2,1H3;2*(H,3,4)(H,5,6)

InChIKey

BBNWGUZEPIUGAT-UHFFFAOYSA-N

Smiles

c1(c2c(nc3c1CCCCC3)cccc2)[N+]1CC[N@@H+](C)CCC1.C(C(=O)[O-])(O)=O.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 483, 1966.
mouse LD50 intraperitoneal 110mg/kg (110mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Medicinal Chemistry. Vol. 9, Pg. 483, 1966.