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Substance Name: 1,2-Ethanediamine, N-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, S-oxide, (Z)-2-butenedioate (1:2)
RN: 78070-23-2
InChIKey: MMJFEBDHGNGXGI-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-Cl-N2-O-S.2C4-H4-O4

Molecular Weight

  • 552.9855
 
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Names and Synonyms

Synonyms

  • 10-(2-Aminoethylamino)-2-chloro-10,11-dihydrodibenzo(b,f)thiepin S-oxide bis(maleate)
  • VUFB-12504

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78070-23-2

System Generated Number

  • 0078070232

Molecular Formulas

Molecular Formula

  • C16-H17-Cl-N2-O-S.2C4-H4-O4

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C16H17ClN2OS.2C4H4O4/c17-12-5-6-15-11(9-12)10-14(19-8-7-18)13-3-1-2-4-16(13)21(15)20;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

MMJFEBDHGNGXGI-LVEZLNDCSA-N

Smiles

c1cc2c(cc1)S(=O)c3c(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 150mg/kg (150mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 44, Pg. 3008, 1979.