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Substance Name: 1,2-Ethanediamine, N-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)
RN: 69231-65-8
InChIKey: QZJWWBVBWRCESP-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-Cl-N2-S.2C4-H4-O4.1/2H2-O

Molecular Weight

  • 536.9865
 
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Names and Synonyms

Synonyms

  • 10-(2-Aminoethylamino)-8-chloro-10,11-dihydrodibenzo(b,f)thiepin bis(hydrogen maleate) 1/2H2O
  • N-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1,2-ethanediamine dimaleate hemihydrate
  • VUFB-10506

Systematic Name

  • 1,2-Ethanediamine, N-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 69231-65-8

System Generated Number

  • 0069231658

Molecular Formulas

Molecular Formula

  • C16-H17-Cl-N2-S.2C4-H4-O4.1/2H2-O

Molecular Formula Fragments

  • C16-H17-Cl-N2-S
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

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

InChIKey

QZJWWBVBWRCESP-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)Sc3c(cc(cc3)Cl)C(C2)NCCN.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 LDLo oral 500mg/kg (500mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 2427, 1978.