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Substance Name: 1-Piperazinamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3-(2-(dimethylamino)ethoxy)phenyl)methylene)-, hydrochloride, hydrate (1:1:1)
RN: 86759-08-2
InChIKey: CSGXATIQJHZXAN-GEQVRVAYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H33-Cl-N4-O-S.Cl-H.H2-O

Molecular Weight

  • 557.5866
 
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Names and Synonyms

  • 1-Piperazinamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-((3-(2-(dimethylamino)ethoxy)phenyl)methylene)-, hydrochloride, hydrate (1:1:1)

Registry Numbers

CAS Registry Number

  • 86759-08-2

System Generated Number

  • 0086759082

Molecular Formulas

Molecular Formula

  • C29-H33-Cl-N4-O-S.Cl-H.H2-O

Molecular Formula Fragments

  • C29-H33-Cl-N4-O-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C29H33ClN4OS.ClH/c1-32(2)16-17-35-25-8-5-6-22(18-25)21-31-34-14-12-33(13-15-34)27-19-23-7-3-4-9-28(23)36-29-11-10-24(30)20-26(27)29;/h3-11,18,20-21,27H,12-17,19H2,1-2H3;1H/b31-21+;

InChIKey

CSGXATIQJHZXAN-GEQVRVAYSA-N

Smiles

CN(C)CCOc1cccc(c1)/C=N/N2CCN(CC2)C3Cc4ccccc4Sc5c3cc(cc5)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1500ug/kg (1.5mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 1173, 1983.