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Substance Name: 1-Piperazinepropanenitrile, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
RN: 34801-41-7
InChIKey: OADVNVKUDLJFIE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-Cl-N3-S.C4-H4-O4

Molecular Weight

  • 500.016
 
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Names and Synonyms

Synonyms

  • 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanenitrile maleate
  • 8-Chloro-10-(4-(2-cyanoethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Systematic Name

  • 1-Piperazinepropanenitrile, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 34801-41-7

System Generated Number

  • 0034801417

Molecular Formulas

Molecular Formula

  • C21-H22-Cl-N3-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H22-Cl-N3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22ClN3S.C4H4O4/c22-17-6-7-21-18(15-17)19(14-16-4-1-2-5-20(16)26-21)25-12-10-24(11-13-25)9-3-8-23;5-3(6)1-2-4(7)8/h1-2,4-7,15,19H,3,9-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

OADVNVKUDLJFIE-WLHGVMLRSA-N

Smiles

C(\C=C\C(=O)O)(=O)O.N1(CCN(CC1)[C@@H]1Cc2c(Sc3c1cc(cc3)Cl)cccc2)CCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 547mg/kg (547mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.