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Substance Name: 4(1H)-Dibenzofuranone, 2,3,4a,9b-tetrahydro-4a-((4-(2-ethoxy-2-phenylethyl)-1-piperazinyl)methyl)-, hydrochloride, hydrate (1:2:1)
RN: 85418-58-2
InChIKey: NZGYGQPCWGVVSF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H34-N2-O3.2Cl-H.H2-O

Molecular Weight

  • 507.4984
 
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Names and Synonyms

  • 4(1H)-Dibenzofuranone, 2,3,4a,9b-tetrahydro-4a-((4-(2-ethoxy-2-phenylethyl)-1-piperazinyl)methyl)-, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 85418-58-2

System Generated Number

  • 0085418582

Molecular Formulas

Molecular Formula

  • C27-H34-N2-O3.2Cl-H.H2-O

Molecular Formula Fragments

  • C27-H34-N2-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H34N2O3.2ClH/c1-2-31-25(21-9-4-3-5-10-21)19-28-15-17-29(18-16-28)20-27-23(12-8-14-26(27)30)22-11-6-7-13-24(22)32-27;;/h3-7,9-11,13,23,25H,2,8,12,14-20H2,1H3;2*1H

InChIKey

NZGYGQPCWGVVSF-UHFFFAOYSA-N

Smiles

CCOC(CN1CCN(CC1)CC23C(CCCC2=O)c4ccccc4O3)c5ccccc5.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   United States Patent Document. Vol. #4409221,