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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, hydrochloride, hydrate (2:4:1)
RN: 121943-11-1
InChIKey: SAFABGBFYCEJGT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H29-Cl-N2-2.2Cl-H.1/2H2-O

Molecular Weight

  • 570.0249
 
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Names and Synonyms

Synonym

  • 1-Benzhydryl-4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)piperazine 2HCl hemihydrate

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 121943-11-1

System Generated Number

  • 0121943111

Molecular Formulas

Molecular Formula

  • C31-H29-Cl-N2-2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C31-H29-Cl-N2-2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C31H29ClN2S.2ClH/c32-26-15-16-30-27(22-26)28(21-25-13-7-8-14-29(25)35-30)33-17-19-34(20-18-33)31(23-9-3-1-4-10-23)24-11-5-2-6-12-24;;/h1-16,22,28,31H,17-21H2;2*1H

InChIKey

SAFABGBFYCEJGT-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C4Cc5ccccc5Sc6c4cc(cc6)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 870, 1988.