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Substance Name: 1H-Imidazole, 4,5-dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, (Z)-2-butenedioate (1:1)
RN: 121996-26-7
InChIKey: VZQZWRBTMUUSPV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-Cl-N2-S.C4-H4-O4

Molecular Weight

  • 430.9101
 
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Names and Synonyms

Synonyms

  • 2-(2-Chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-4,5-dihydroimidazole hydrogen maleate
  • 4,5-Dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-1H-imidazole (Z)-2-butenedioate

Systematic Name

  • 1H-Imidazole, 4,5-dihydro-2-(2-chloro-6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 121996-26-7

System Generated Number

  • 0121996267

Molecular Formulas

Molecular Formula

  • C17-H15-Cl-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C17-H15-Cl-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H15ClN2S.C4H4O4/c18-12-5-6-15-14(9-12)16(17-19-7-8-20-17)13-4-2-1-3-11(13)10-21-15;5-3(6)1-2-4(7)8/h1-6,9,16H,7-8,10H2,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

VZQZWRBTMUUSPV-WLHGVMLRSA-N

Smiles

OC(=O)\C=C\C(=O)O.Clc1ccc2SCc3ccccc3C(C4=NCCN4)c2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 222mg/kg (222mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 229, 1989.