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Substance Name: Piperazine, 1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, dihydrochloride
RN: 21609-82-5
InChIKey: BSMYVMVNJQNKHF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-S.2Cl-H

Molecular Weight

  • 411.438
 
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Names and Synonyms

Synonym

  • 1-Benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine dihydrochloride

Systematic Name

  • Piperazine, 1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 21609-82-5

System Generated Number

  • 0021609825

Molecular Formulas

Molecular Formula

  • C21-H26-N2-S.2Cl-H

Molecular Formula Fragments

  • C21-H26-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2S.2ClH/c1-2-7-18(8-3-1)17-22-12-14-23(15-13-22)20-10-6-16-24-21-11-5-4-9-19(20)21;;/h1-5,7-9,11,20H,6,10,12-17H2;2*1H

InChIKey

BSMYVMVNJQNKHF-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)[C@@H]1CCCSc2c1cccc2)Cc1ccccc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

BEHAVIORAL: GENERAL ANESTHETIC
Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 4315, 1968.