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Substance Name: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)
RN: 41932-06-3
InChIKey: LSSCSVUHGCDGSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O2-S2.2Cl-H.H2-O

Molecular Weight

  • 489.529
 
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Names and Synonyms

  • 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, 1-oxide, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 41932-06-3

System Generated Number

  • 0041932063

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O2-S2.2Cl-H.H2-O

Molecular Formula Fragments

  • C22-H28-N2-O2-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H28N2O2S2.2ClH/c1-27-18-7-8-22-19(16-18)20(15-17-5-2-3-6-21(17)28-22)23-9-12-24(26,13-10-23)11-4-14-25;;/h2-3,5-8,16,20,25H,4,9-15H2,1H3;2*1H

InChIKey

LSSCSVUHGCDGSZ-UHFFFAOYSA-N

Smiles

CSc1ccc2c(c1)C(Cc3ccccc3S2)N4CC[N+](CC4)(CCCO)[O-].Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 43860ug/kg (43.86mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 599, 1973.