Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (2:4:1)
RN: 61015-80-3
InChIKey: OHFOHBWBQPQODV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-O2-S.2Cl-H.1/2H2-O

Molecular Weight

  • 463.8545
 
* 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

  • VUFB10,046

Systematic Name

  • 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 61015-80-3

System Generated Number

  • 0061015803

Molecular Formulas

Molecular Formula

  • C20-H23-Cl-N2-O2-S.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C20-H23-Cl-N2-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H23ClN2O2S.2ClH/c21-16-5-6-20-17(14-16)18(13-15-3-1-2-4-19(15)26-20)22-7-9-23(25,10-8-22)11-12-24;;/h1-6,14,18,24H,7-13H2;2*1H

InChIKey

OHFOHBWBQPQODV-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)CC(c3cc(ccc3S2)Cl)N4CC[N+](CC4)(CCO)[O-].Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 114mg/kg (114mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 443, 1976.