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Substance Name: 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, dihydrochloride
RN: 41931-89-9
InChIKey: GCDZQNYSQYOPJX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O2-S2.2Cl-H

Molecular Weight

  • 489.529
 
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Names and Synonyms

Synonyms

  • 4-(10,11-Dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 2HCl
  • Oxyprothepin 8-sulfoxide dihydrochloride
  • VUFB-9472

Systematic Name

  • 1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 41931-89-9

System Generated Number

  • 0041931899

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O2-S2.2Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

GCDZQNYSQYOPJX-UHFFFAOYSA-N

Smiles

CS(=O)c1ccc2c(c1)C(Cc3ccccc3S2)N4CCN(CC4)CCCO.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 188mg/kg (188mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 504, 1980.