Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-(dimethylcarbamoylmethyl)piperazinyl)methyl-, dimaleate
RN: 39890-25-0
InChIKey: LKYRHIKMIZUSDE-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N3-O4.2C4-H4-O4

Molecular Weight

  • 669.6801
 
* 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(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-(dimethylcarbamoylmethyl)piperazinyl)methyl-, dimaleate

Registry Numbers

CAS Registry Number

  • 39890-25-0

System Generated Number

  • 0039890250

Molecular Formulas

Molecular Formula

  • C25-H31-N3-O4.2C4-H4-O4

Molecular Formula Fragments

  • C25-H31-N3-O4
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31N3O4.2C4H4O4/c1-26(2)24(29)16-28-13-11-27(12-14-28)15-20-18-31-25(32-20)21-8-4-3-7-19(21)17-30-23-10-6-5-9-22(23)25;2*5-3(6)1-2-4(7)8/h3-10,20H,11-18H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

LKYRHIKMIZUSDE-LVEZLNDCSA-N

Smiles

CN(C(=O)CN1CCN(CC1)CC2OC3(OC2)c4c(cccc4)OCc5c3cccc5)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1100mg/kg (1100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 634, 1974.