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Substance Name: 1-Piperazineethanamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N,N-diethyl-, (Z)-2-butenedioate (1:2)
RN: 34661-59-1
InChIKey: VTRNZOGDZFCRAD-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-Cl-N3-S.2C4-H4-O4

Molecular Weight

  • 662.2
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 34661-59-1

System Generated Number

  • 0034661591

Molecular Formulas

Molecular Formula

  • C24-H32-Cl-N3-S.2C4-H4-O4

Molecular Formula Fragments

  • C24-H32-Cl-N3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C24H32ClN3S.2C4H4O4/c1-3-26(4-2)11-12-27-13-15-28(16-14-27)22-17-19-7-5-6-8-23(19)29-24-10-9-20(25)18-21(22)24;2*5-3(6)1-2-4(7)8/h5-10,18,22H,3-4,11-17H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

VTRNZOGDZFCRAD-LVEZLNDCSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 87800ug/kg (87.8mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.