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Substance Name: 1-Piperazineethanol, 4-(10,11-dihydro-2-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)
RN: 57536-83-1
InChIKey: XBQUMXBHMXLMBD-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O-S2.2C4-H4-O4

Molecular Weight

  • 618.7246
 
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Names and Synonyms

Synonym

  • 4-(10,11-Dihydro-2-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2)

Systematic Name

  • 1-Piperazineethanol, 4-(10,11-dihydro-2-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 57536-83-1

System Generated Number

  • 0057536831

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O-S2.2C4-H4-O4

Molecular Formula Fragments

  • C21-H26-N2-O-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26N2OS2.2C4H4O4/c1-25-17-6-7-20-16(14-17)15-19(18-4-2-3-5-21(18)26-20)23-10-8-22(9-11-23)12-13-24;2*5-3(6)1-2-4(7)8/h2-7,14,19,24H,8-13,15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

XBQUMXBHMXLMBD-LVEZLNDCSA-N

Smiles

CSc1cc2c(cc1)Sc3c(cccc3)C(C2)N4CCN(CC4)CCO.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 592mg/kg (592mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 40, Pg. 1940, 1975.