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Substance Name: 1,2-Ethanediamine, N-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)
RN: 78070-22-1
InChIKey: PNPPXKHSOGEFDL-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-Cl-N2-S.2C4-H4-O4

Molecular Weight

  • 536.9865
 
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Names and Synonyms

Synonyms

  • 10-(2-Aminoethylamino)-2-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(hydrogen maleate)
  • N-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1,2-ethanediamine dimaleate
  • VUFB-12437

Systematic Name

  • 1,2-Ethanediamine, N-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 78070-22-1

System Generated Number

  • 0078070221

Molecular Formulas

Molecular Formula

  • C16-H17-Cl-N2-S.2C4-H4-O4

Molecular Formula Fragments

  • C16-H17-Cl-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H17ClN2S.2C4H4O4/c17-12-5-6-15-11(9-12)10-14(19-8-7-18)13-3-1-2-4-16(13)20-15;2*5-3(6)1-2-4(7)8/h1-6,9,14,19H,7-8,10,18H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

PNPPXKHSOGEFDL-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)Sc3c(cc(cc3)Cl)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 30mg/kg (30mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 3008, 1979.