Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Piperazinepropanol, 4-(8-chlorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
RN: 41931-75-3
InChIKey: LGFKTPNJGMVTPX-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl-N2-O-S.C4-H4-O4

Molecular Weight

  • 503.0163
 
* 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

Synonyms

  • 4-(8-Chlorodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol maleate
  • 8-Chloro-10-(4-(3-hydroxypropyl)piperazino)dibenzo(b,f)thiepin maleate

Systematic Name

  • 1-Piperazinepropanol, 4-(8-chlorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 41931-75-3

System Generated Number

  • 0041931753

Molecular Formulas

Molecular Formula

  • C21-H23-Cl-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H23-Cl-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23ClN2OS.C4H4O4/c22-17-6-7-21-18(15-17)19(14-16-4-1-2-5-20(16)26-21)24-11-9-23(10-12-24)8-3-13-25;5-3(6)1-2-4(7)8/h1-2,4-7,14-15,25H,3,8-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

LGFKTPNJGMVTPX-WLHGVMLRSA-N

Smiles

c1ccc2c(c1)C=C(c3cc(ccc3S2)Cl)N4CCN(CC4)CCCO.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36400ug/kg (36.4mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 1190, 1973.