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Substance Name: 1-Piperazineethanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, 1-oxide,hydrochloride, hydrate (2:4:1)
RN: 61015-81-4
InChIKey: YKJAOYDGKJIKPD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O3-S2.2Cl-H.1/2H2-O

Molecular Weight

  • 491.5012
 
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Names and Synonyms

Synonym

  • VUFB10,082

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61015-81-4

System Generated Number

  • 0061015814

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O3-S2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C21-H26-N2-O3-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H26N2O3S2.2ClH/c1-28(26)17-6-7-21-18(15-17)19(14-16-4-2-3-5-20(16)27-21)22-8-10-23(25,11-9-22)12-13-24;;/h2-7,15,19,24H,8-14H2,1H3;2*1H

InChIKey

YKJAOYDGKJIKPD-UHFFFAOYSA-N

Smiles

CS(=O)c1ccc2c(c1)C(Cc3ccccc3S2)N4CC[N+](CC4)(CCO)[O-].Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 76500ug/kg (76.5mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 443, 1976.