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Substance Name: Piperazine, 1-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4-(2-methoxyethyl)-, ethanedioate (1:1)
RN: 96122-40-6
InChIKey: QQWAMKFHPXKNDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O-S.C2-H2-O4

Molecular Weight

  • 444.5492
 
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Names and Synonyms

Synonyms

  • 1-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-4-(2-methoxyethyl)piperazine oxalate
  • 11-(4-(2-Methoxyethyl)piperazino)-6,11-dihydrodibenzo(b,e)thiepin oxalate

Systematic Name

  • Piperazine, 1-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4-(2-methoxyethyl)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 96122-40-6

System Generated Number

  • 0096122406

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O-S.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H26-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2OS.C2H2O4/c1-24-15-14-22-10-12-23(13-11-22)21-18-7-3-2-6-17(18)16-25-20-9-5-4-8-19(20)21;3-1(4)2(5)6/h2-9,21H,10-16H2,1H3;(H,3,4)(H,5,6)

InChIKey

QQWAMKFHPXKNDJ-UHFFFAOYSA-N

Smiles

C1(N2CCN(CC2)CCOC)c2c(SCc3c1cccc3)cccc2.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 666mg/kg (666mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 2520, 1984.