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Substance Name: Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)
RN: 31772-64-2
InChIKey: KNUIMZFKNKRGAD-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N-O-S.C4-H4-O4

Molecular Weight

  • 413.492
 
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Names and Synonyms

Synonym

  • 11-(2-Dimethylaminoethyl)-11H-dibenzo(b,f)thiepin-10-one hydrogen maleate

Systematic Name

  • Dibenzo(b,f)thiepin-10(11H)-one, 11-(2-(dimethylamino)ethyl)-, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 31772-64-2

System Generated Number

  • 0031772642

Molecular Formulas

Molecular Formula

  • C18-H19-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H19-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19NOS.C4H4O4/c1-19(2)12-11-17-13-7-3-4-8-14(13)18(20)15-9-5-6-10-16(15)21-17;5-3(6)1-2-4(7)8/h3-10,17H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

KNUIMZFKNKRGAD-BTJKTKAUSA-N

Smiles

c12c(C(c3ccccc3S[C@@H]1CC[NH+](C)C)=O)cccc2.C(=C/C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 35, Pg. 3721, 1970.