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Substance Name: 1-Piperazineacetamide, N-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)methyl)-4-methyl-, dihydrochloride, hydrate
RN: 117125-49-2
InChIKey: QSJUCXJGLOOHDH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N3-O-S.2Cl-H.H2-O

Molecular Weight

  • 454.4631
 
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Names and Synonyms

Synonym

  • N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O

Systematic Name

  • 1-Piperazineacetamide, N-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)methyl)-4-methyl-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 117125-49-2

System Generated Number

  • 0117125492

Molecular Formulas

Molecular Formula

  • C22-H27-N3-O-S.2Cl-H.H2-O

Molecular Formula Fragments

  • C22-H27-N3-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H27N3OS.2ClH/c1-24-10-12-25(13-11-24)15-22(26)23-14-20-18-7-3-2-6-17(18)16-27-21-9-5-4-8-19(20)21;;/h2-9,20H,10-16H2,1H3,(H,23,26);2*1H

InChIKey

QSJUCXJGLOOHDH-UHFFFAOYSA-N

Smiles

Cl.Cl.CN1CCN(CC(=O)NCC2c3ccccc3CSc4ccccc24)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 152mg/kg (152mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 860, 1988.