Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperazine, 1-(8-cyclopentyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:1)
RN: 54997-74-9
InChIKey: BMDXPBCEKBOOAK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-N2-S.2C-H4-O3-S.1/2H2-O

Molecular Weight

  • 570.7922
 
* 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

  • Piperazine, 1-(8-cyclopentyl-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 54997-74-9

System Generated Number

  • 0054997749

Molecular Formulas

Molecular Formula

  • C24-H30-N2-S.2C-H4-O3-S.1/2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C24-H30-N2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H30N2S.2CH4O3S/c1-25-12-14-26(15-13-25)22-17-20-8-4-5-9-23(20)27-24-11-10-19(16-21(22)24)18-6-2-3-7-18;2*1-5(2,3)4/h4-5,8-11,16,18,22H,2-3,6-7,12-15,17H2,1H3;2*1H3,(H,2,3,4)

InChIKey

BMDXPBCEKBOOAK-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)C5CCCC5.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 72mg/kg (72mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 783, 1974.