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Substance Name: 1-Piperazineethanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, acetate (ester), (Z)-2-butenedioate (1:2)
RN: 21760-60-1
InChIKey: CJEVXXOXENDPFV-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-Cl-N2-O2-S.2C4-H4-O4

Molecular Weight

  • 649.114
 
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Names and Synonyms

Synonyms

  • 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol acetate dimaleate
  • 8-Chloro-10-(4-(2-acetoxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin dimaleate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21760-60-1

System Generated Number

  • 0021760601

Molecular Formulas

Molecular Formula

  • C22-H25-Cl-N2-O2-S.2C4-H4-O4

Molecular Formula Fragments

  • C22-H25-Cl-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H25ClN2O2S.2C4H4O4/c1-16(26)27-13-12-24-8-10-25(11-9-24)20-14-17-4-2-3-5-21(17)28-22-7-6-18(23)15-19(20)22;2*5-3(6)1-2-4(7)8/h2-7,15,20H,8-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

CJEVXXOXENDPFV-LVEZLNDCSA-N

Smiles

C(\C=C\C(O)=O)(=O)O.C(C)(=O)OCCN1CCN(CC1)[C@@H]1Cc2c(Sc3c1cc(cc3)Cl)cccc2.C(=O)(O)\C=C\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 102mg/kg (102mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 36, Pg. 2226, 1971.