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Substance Name: 1-Piperazinepropanimidamide, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N-hydroxy-, (Z)-2-butenedioate (1:1)
RN: 34770-89-3
InChIKey: WIEXTPKUBGJVIE-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-N4-O-S.C4-H4-O4

Molecular Weight

  • 533.046
 
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Names and Synonyms

Synonym

  • 8-Chloro-10-(4-(3-amino-3-oximinopropyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 34770-89-3

System Generated Number

  • 0034770893

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-N4-O-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H25-Cl-N4-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25ClN4OS.C4H4O4/c22-15-5-6-19-16(12-15)17(11-14-3-1-2-4-18(14)28-19)26-10-9-25(21(27)13-26)8-7-20(23)24;5-3(6)1-2-4(7)8/h1-6,12,17,21,27H,7-11,13H2,(H3,23,24);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

WIEXTPKUBGJVIE-WLHGVMLRSA-N

Smiles

C(\C=C\C(=O)O)(=O)O.C1[N@@]([C@@H](C[N@@](C1)[C@@H]1Cc2c(Sc3c1cc(cc3)Cl)cccc2)O)CCC(=N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 268mg/kg (268mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.