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Substance Name: Doclothepin
RN: 4789-63-3
InChIKey: RGQQPQPTXXRIIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-N2-S

Molecular Weight

  • 344.9079
 
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Names and Synonyms

Results Name

  • Doclothepin

Synonyms

  • 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine
  • 2-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin
  • 5-23-02-00428 (Beilstein Handbook Reference)
  • BRN 0627415
  • Doclothepin
  • Duoclothepin
  • VUFB-10030

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 4789-63-3

System Generated Number

  • 0004789633

Structure Descriptors

InChI

1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-13-14-12-15(20)6-7-18(14)23-19-5-3-2-4-16(17)19/h2-7,12,17H,8-11,13H2,1H3

InChIKey

RGQQPQPTXXRIIN-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3cc(ccc3Sc4c2cccc4)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 36mg/kg (36mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 2649, 1975.
mouse LD50 oral 70mg/kg (70mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 2649, 1975.