Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ethanamine, N,N-dimethyl-2-((6,7,8,9-tetrahydro-5-phenyl-5H-benzocyclohepten-5-yl)oxy)-, ethandioate (1:1)
RN: 40494-48-2
InChIKey: YXYCLIHVHKFXIZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O.C2-H2-O4

Molecular Weight

  • 399.484
 
* 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

  • Ethanamine, N,N-dimethyl-2-((6,7,8,9-tetrahydro-5-phenyl-5H-benzocyclohepten-5-yl)oxy)-, ethandioate (1:1)

Registry Numbers

CAS Registry Number

  • 40494-48-2

System Generated Number

  • 0040494482

Molecular Formulas

Molecular Formula

  • C21-H27-N-O.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H27-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO.C2H2O4/c1-22(2)16-17-23-21(19-12-4-3-5-13-19)15-9-8-11-18-10-6-7-14-20(18)21;3-1(4)2(5)6/h3-7,10,12-14H,8-9,11,15-17H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

YXYCLIHVHKFXIZ-UHFFFAOYSA-N

Smiles

c12[C@@](c3ccccc3)(CCCCc1cccc2)OCC[NH+](C)C.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 400mg/kg (400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 2070, 1972.