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Substance Name: Docloxythepin
RN: 56934-18-0
InChIKey: BMQLWINJIGEDEK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N2-O-S

Molecular Weight

  • 374.9337
 
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Names and Synonyms

Name of Substance

  • Docloxythepin

Synonyms

  • 4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol
  • 5-23-02-00428 (Beilstein Handbook Reference)
  • BRN 0900422
  • Docloxythepin
  • VUFB-10032

Systematic Name

  • 1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-

Registry Numbers

CAS Registry Number

  • 56934-18-0

Other Registry Number

  • 73201-37-3

System Generated Number

  • 0056934180

Structure Descriptors

InChI

1S/C20H23ClN2OS/c21-16-5-6-19-15(13-16)14-18(17-3-1-2-4-20(17)25-19)23-9-7-22(8-10-23)11-12-24/h1-6,13,18,24H,7-12,14H2

InChIKey

BMQLWINJIGEDEK-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(Cc3cc(ccc3S2)Cl)N4CCN(CC4)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 84mg/kg (84mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 1070, 1985.