Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dibenzo(b,f)thiepin-2-carboxamide, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, methanesulfonate, hydrate (1:2:2)
RN: 55301-84-3
InChIKey: ZESHHGKIBXVEJL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N3-O-S.2C-H4-O3-S.2H2-O

Molecular Weight

  • 545.699
 
* 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

  • Dibenzo(b,f)thiepin-2-carboxamide, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, methanesulfonate, hydrate (1:2:2)

Registry Numbers

CAS Registry Number

  • 55301-84-3

System Generated Number

  • 0055301843

Molecular Formulas

Molecular Formula

  • C20-H23-N3-O-S.2C-H4-O3-S.2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C20-H23-N3-O-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H23N3OS.2CH4O3S/c1-22-8-10-23(11-9-22)17-13-14-4-2-3-5-18(14)25-19-7-6-15(20(21)24)12-16(17)19;2*1-5(2,3)4/h2-7,12,17H,8-11,13H2,1H3,(H2,21,24);2*1H3,(H,2,3,4)

InChIKey

ZESHHGKIBXVEJL-UHFFFAOYSA-N

Smiles

c12[C@@H](N3CCN(CC3)C)Cc3ccccc3Sc1ccc(c2)C(=O)N.S(O)(=O)(=O)C.S(O)(=O)(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 51800ug/kg (51.8mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 2099, 1974.