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Substance Name: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(3-phenylpropyl)-, (Z)-2-butenedioate (1:2)
RN: 59698-57-6
InChIKey: GEDNMGUMIBJXOY-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H29-Cl-N2-S.2C4-H4-O4

Molecular Weight

  • 681.2023
 
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Names and Synonyms

Synonym

  • 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(3-phenylpropyl)piperazine dimaleate

Systematic Name

  • Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(3-phenylpropyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 59698-57-6

System Generated Number

  • 0059698576

Molecular Formulas

Molecular Formula

  • C27-H29-Cl-N2-S.2C4-H4-O4

Molecular Formula Fragments

  • C27-H29-Cl-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C27H29ClN2S.2C4H4O4/c28-23-12-13-27-24(20-23)25(19-22-10-4-5-11-26(22)31-27)30-17-15-29(16-18-30)14-6-9-21-7-2-1-3-8-21;2*5-3(6)1-2-4(7)8/h1-5,7-8,10-13,20,25H,6,9,14-19H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

GEDNMGUMIBJXOY-LVEZLNDCSA-N

Smiles

c1ccc(cc1)CCCN2CCN(CC2)C3c4c(ccc(c4)Cl)Sc5c(cccc5)C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 303mg/kg (303mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 3386, 1975.