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Substance Name: 1-Piperazinepropanamide, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
RN: 34775-58-1
InChIKey: GNFLLEIVTZOCEE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-Cl-N3-O-S.C4-H4-O4

Molecular Weight

  • 518.031
 
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Names and Synonyms

Synonym

  • 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanamide maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 34775-58-1

System Generated Number

  • 0034775581

Molecular Formulas

Molecular Formula

  • C21-H24-Cl-N3-O-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H24-Cl-N3-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24ClN3OS.C4H4O4/c22-16-5-6-20-17(14-16)18(13-15-3-1-2-4-19(15)27-20)25-11-9-24(10-12-25)8-7-21(23)26;5-3(6)1-2-4(7)8/h1-6,14,18H,7-13H2,(H2,23,26);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

GNFLLEIVTZOCEE-WLHGVMLRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 165mg/kg (165mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.