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Substance Name: 1-Propanamine, 3-(2,9-difluorodibenzo(b,e)thiepin-11(6H)-ylidene)-N,N-dimethyl-, (E)-, (Z)-2-butenedioate (1:1)
RN: 81890-61-1
InChIKey: QDBOCZXOYTYRFC-QKCLSRSRSA-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

  • (E)-2,9-Difluoro-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo(b,e)thiepin maleate

Systematic Name

  • 1-Propanamine, 3-(2,9-difluorodibenzo(b,e)thiepin-11(6H)-ylidene)-N,N-dimethyl-, (E)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 81890-61-1

System Generated Number

  • 0081890611

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)9-3-4-16-17-10-14(20)6-5-13(17)12-23-19-8-7-15(21)11-18(16)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)/b16-4+;2-1+

InChIKey

QDBOCZXOYTYRFC-QKCLSRSRSA-N

Smiles

CN(C)CC\C=C\1/c2cc(F)ccc2CSc3ccc(F)cc13.OC(=O)\C=C\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 57800ug/kg (57.8mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 65, 1982.