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Substance Name: 1-Propanone, 1-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate (1:1)
RN: 55301-78-5
InChIKey: ONLXMNDFMPFCMT-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-N2-O-S.C4-H4-O4

Molecular Weight

  • 482.598
 
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Names and Synonyms

Synonyms

  • 1-(10,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-1-propanone maleate
  • 8-Propionyl-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate

Systematic Name

  • 1-Propanone, 1-(10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 55301-78-5

System Generated Number

  • 0055301785

Molecular Formulas

Molecular Formula

  • C22-H26-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C22-H26-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26N2OS.C4H4O4/c1-3-20(25)16-8-9-22-18(14-16)19(24-12-10-23(2)11-13-24)15-17-6-4-5-7-21(17)26-22;5-3(6)1-2-4(7)8/h4-9,14,19H,3,10-13,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ONLXMNDFMPFCMT-WLHGVMLRSA-N

Smiles

CCC(=O)c1ccc2c(c1)C(Cc3ccccc3S2)N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 34mg/kg (34mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 2099, 1974.