Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Carbanilic acid, m-(pentyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
RN: 60558-12-5
InChIKey: IJUPEQYSKDYHFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H32-N2-O3.Cl-H

Molecular Weight

  • 384.945
 
* 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

Synonym

  • m-(Pentyloxy)carbanilic acid 2-(hexahydro-1H-azepin-1-yl)ethyl ester hydrochloride

Systematic Name

  • Carbanilic acid, m-(pentyloxy)-, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 60558-12-5

System Generated Number

  • 0060558125

Molecular Formulas

Molecular Formula

  • C20-H32-N2-O3.Cl-H

Molecular Formula Fragments

  • C20-H32-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H32N2O3.ClH/c1-2-3-8-15-24-19-11-9-10-18(17-19)21-20(23)25-16-14-22-12-6-4-5-7-13-22;/h9-11,17H,2-8,12-16H2,1H3,(H,21,23);1H

InChIKey

IJUPEQYSKDYHFS-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)OCCCCC)NC(OCC[NH+]1CCCCCC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 100mg/kg (100mg/kg)   Cesko-Slovenska Farmacie. Vol. 25, Pg. 118, 1976.