Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(sec-butylamino)methyl-, oxalate
RN: 64036-63-1
InChIKey: FOPVWIQJESKKKW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N-O2.C2-H2-O4

Molecular Weight

  • 427.494
 
* 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

  • Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(sec-butylamino)methyl-, oxalate

Registry Numbers

CAS Registry Number

  • 64036-63-1

System Generated Number

  • 0064036631

Molecular Formulas

Molecular Formula

  • C22-H28-N-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H28-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27NO2.C2H2O4/c1-3-16(2)23-14-19-15-24-22(25-19)20-10-6-4-8-17(20)12-13-18-9-5-7-11-21(18)22;3-1(4)2(5)6/h4-11,16,19,23H,3,12-15H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

FOPVWIQJESKKKW-UHFFFAOYSA-N

Smiles

C12(OC[C@@H](O1)CN[C@@H](CC)C)c1c(cccc1)CCc1c2cccc1.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 286, 1974.