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Substance Name: Piperazine, 1-(8-amino-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, hydrochloride, hydrate (2:6:3)
RN: 20892-95-9
InChIKey: RUSWFQALOMEJMK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-S.3Cl-H.3/2H2-O

Molecular Weight

  • 434.86
 
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Names and Synonyms

Synonym

  • 8-Amino-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin HCl hydrate (2:6:3)

Systematic Name

  • Piperazine, 1-(8-amino-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, hydrochloride, hydrate (2:6:3)

Registry Numbers

CAS Registry Number

  • 20892-95-9

System Generated Number

  • 0020892959

Molecular Formulas

Molecular Formula

  • C19-H23-N3-S.3Cl-H.3/2H2-O

Molecular Formula Fragments

  • C19-H23-N3-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H23N3S.3ClH/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;;;/h2-7,13,17H,8-12,20H2,1H3;3*1H

InChIKey

RUSWFQALOMEJMK-UHFFFAOYSA-N

Smiles

N1([C@@H]2Cc3c(cccc3)Sc3c2cc(cc3)N)CCN(CC1)C.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13600ug/kg (13.6mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 33, Pg. 2666, 1968.