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Substance Name: Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, 3,8-difluoro-N,N-dimethyl-, fumarate (1:1)
RN: 16675-29-9
InChIKey: ZSTPQBLLJSFIMU-XTEWHANVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-F2-N-S.C4-H4-O4

Molecular Weight

  • 447.4997
 
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Names and Synonyms

Synonym

  • 3,8-Difluoro-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin fumarate

Systematic Name

  • Dibenzo(b,e)thiepin-delta(sup 11(6H),gamma)-propylamine, 3,8-difluoro-N,N-dimethyl-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 16675-29-9

System Generated Number

  • 0016675299

Molecular Formulas

Molecular Formula

  • C19-H19-F2-N-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H19-F2-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H19F2NS.C4H4O4/c1-22(2)9-3-4-17-16-7-5-14(20)10-13(16)12-23-19-11-15(21)6-8-18(17)19;5-3(6)1-2-4(7)8/h4-8,10-11H,3,9,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b17-4-;2-1+

InChIKey

ZSTPQBLLJSFIMU-XTEWHANVSA-N

Smiles

C[NH+](C)CC\C=C/1\c2ccc(F)cc2CSc3cc(F)ccc13.OC(=O)\C=C\C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 53200ug/kg (53.2mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 65, 1982.