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Substance Name: 1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1)
RN: 63186-48-1
InChIKey: ITIVURNTICPULA-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-N2-O2-S.C4-H4-O4

Molecular Weight

  • 491.0053
 
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Names and Synonyms

Synonyms

  • 2-Chloro-10-(4-(2-hydroxyethyl)piperazino)-8-methoxy-10,11-dihydrodibenzo(b,f)thiepin maleate
  • 4-(2-Chloro-10,11-dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate
  • VUFB-10657

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63186-48-1

System Generated Number

  • 0063186481

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-N2-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H25-Cl-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23ClN2OS.C4H4O4/c1-22-7-9-23(10-8-22)18-12-14-11-15(21)3-5-19(14)25-20-6-4-16(24-2)13-17(18)20;5-3(6)1-2-4(7)8/h3-6,11,13,18H,7-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ITIVURNTICPULA-WLHGVMLRSA-N

Smiles

CN1CCN(CC1)C2Cc3cc(ccc3Sc4c2cc(cc4)OC)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 104mg/kg (104mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 3607, 1976.