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Substance Name: 1-Piperazineethanol, 4-(10,11-dihydro-7-ethyldibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2) (salt)
RN: 84964-87-4
InChIKey: WPLRYQGXKRFSCV-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O-S.2C4-H4-O4

Molecular Weight

  • 600.6854
 
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Names and Synonyms

Synonym

  • 3-Ethyl-11-(4-(2-hydroxyethyl)piperazino)-10,11-dihydrodibenzo(b,f)thiepin bis(maleate)

Systematic Name

  • 1-Piperazineethanol, 4-(10,11-dihydro-7-ethyldibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2) (salt)

Registry Numbers

CAS Registry Number

  • 84964-87-4

System Generated Number

  • 0084964874

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

  • C22-H28-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N2OS.2C4H4O4/c1-2-17-7-8-19-20(24-11-9-23(10-12-24)13-14-25)16-18-5-3-4-6-21(18)26-22(19)15-17;2*5-3(6)1-2-4(7)8/h3-8,15,20,25H,2,9-14,16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

WPLRYQGXKRFSCV-LVEZLNDCSA-N

Smiles

CCc1cc2c(cc1)C(Cc3c(cccc3)S2)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 587mg/kg (587mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 3134, 1982.