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Substance Name: 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)
RN: 74611-42-0
InChIKey: UTKHZXCFMONTJS-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N2-S2.2C4-H4-O4

Molecular Weight

  • 548.6342
 
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Names and Synonyms

Synonyms

  • 10-(2-Aminoethylamino)-8-methylthio-10,11-dihydrodibenzo(b,f)thiepin bis(hydrogen maleate)
  • N-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1,2-ethanediamine bis(maleate)
  • VUFB-12316

Systematic Name

  • 1,2-Ethanediamine, N-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 74611-42-0

System Generated Number

  • 0074611420

Molecular Formulas

Molecular Formula

  • C17-H20-N2-S2.2C4-H4-O4

Molecular Formula Fragments

  • C17-H20-N2-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H20N2S2.2C4H4O4/c1-20-13-6-7-17-14(11-13)15(19-9-8-18)10-12-4-2-3-5-16(12)21-17;2*5-3(6)1-2-4(7)8/h2-7,11,15,19H,8-10,18H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

UTKHZXCFMONTJS-LVEZLNDCSA-N

Smiles

CSc1cc2c(cc1)Sc3c(cccc3)CC2NCCN.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 intravenous 75mg/kg (75mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 45, Pg. 504, 1980.