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Substance Name: 1-Piperazineethanol, 4-(10,11-dihydro-2-methyldibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)
RN: 73129-63-2
InChIKey: BKRBJVTYGVFEHV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O-S.C4-H4-O4

Molecular Weight

  • 470.587
 
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Names and Synonyms

Synonyms

  • 10-(4-(2-Hydroxyethyl)piperazino)-2-methyl-10,11-dihydrodibenzo(b,f)thiepin maleate
  • VUFB13.753

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 73129-63-2

System Generated Number

  • 0073129632

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O-S.C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C21H26N2OS.C4H4O4/c1-16-6-7-20-17(14-16)15-19(18-4-2-3-5-21(18)25-20)23-10-8-22(9-11-23)12-13-24;5-3(6)1-2-4(7)8/h2-7,14,19,24H,8-13,15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

BKRBJVTYGVFEHV-WLHGVMLRSA-N

Smiles

Cc1ccc2c(c1)CC(c3ccccc3S2)N4CCN(CC4)CCO.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 239mg/kg (239mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: ATAXIA
Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 2677, 1979.