Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt)
RN: 124645-37-0
InChIKey: MHJKEBDNVRKRLH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Cl-N2-O-S2.C4-H6-O4.H2-O

Molecular Weight

  • 553.1407
 
* 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

  • 1-Piperazineethanol, 4-(2-((2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)ethyl)-, (+-)-, butanedioate, hydrate (1:1:1) (salt)

Registry Numbers

CAS Registry Number

  • 124645-37-0

System Generated Number

  • 0124645370

Molecular Formulas

Molecular Formula

  • C22-H27-Cl-N2-O-S2.C4-H6-O4.H2-O

Molecular Formula Fragments

  • C22-H27-Cl-N2-O-S2
  • C4-H6-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H27ClN2OS2.C4H6O4/c23-18-5-6-20-17(15-18)16-22(19-3-1-2-4-21(19)28-20)27-14-12-25-9-7-24(8-10-25)11-13-26;5-3(6)1-2-4(7)8/h1-6,15,22,26H,7-14,16H2;1-2H2,(H,5,6)(H,7,8)

InChIKey

MHJKEBDNVRKRLH-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(Cc3cc(ccc3S2)Cl)SCCN4CCN(CC4)CCO.C(CC(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1620mg/kg (1620mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1403, 1945.