Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-, dimethanesulfonate, hydrate
RN: 61015-59-6
InChIKey: GJXYKIBICRJZPZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-N2-O-S.2C-H4-O3-S.H2-O

Molecular Weight

  • 581.1717
 
* 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

  • VUFB10,048

Systematic Name

  • 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-alpha-methyl-, dimethanesulfonate, hydrate

Registry Numbers

CAS Registry Number

  • 61015-59-6

System Generated Number

  • 0061015596

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-N2-O-S.2C-H4-O3-S.H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H25-Cl-N2-O-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H25ClN2OS.2CH4O3S/c1-15(25)14-23-8-10-24(11-9-23)19-12-16-4-2-3-5-20(16)26-21-7-6-17(22)13-18(19)21;2*1-5(2,3)4/h2-7,13,15,19,25H,8-12,14H2,1H3;2*1H3,(H,2,3,4)

InChIKey

GJXYKIBICRJZPZ-UHFFFAOYSA-N

Smiles

CC(CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)Cl)O.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 81650ug/kg (81.65mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 443, 1976.