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Substance Name: Dithiaden S-oxide
RN: 11119-54-3
InChIKey: FRTZJKSKIIIIIF-MDWZMJQESA-N

Molecular Formula

  • C17-H19-N-O-S2

Molecular Weight

  • 317.4751
 
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Names and Synonyms

Results Name

  • Dithiaden S-oxide

Name of Substance

  • Dithiadenoxide

Synonyms

  • Dithiaden S-oxide
  • N,N-Dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene-1-propanamine S-oxide

Systematic Names

  • 1-Propanamine, N,N-dimethyl-3-(oxidothieno(2,3-c)(2)benzothiepin-4(9H)-ylidene)-
  • 1-Propanamine, N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-yildene-, S-oxide

Registry Numbers

CAS Registry Number

  • 11119-54-3

Related Registry Number

  • 16220-41-0 (maleate)

System Generated Number

  • 0011119543

Structure Descriptors

InChI

1S/C17H19NOS2/c1-18(2)10-5-8-13-12-6-3-4-7-14(12)16(19)21-17-15(13)9-11-20-17/h3-4,6-9,11,16,19H,5,10H2,1-2H3/b13-8+

InChIKey

FRTZJKSKIIIIIF-MDWZMJQESA-N

Smiles

CN(C)CC/C=C/1\c2ccccc2C(Sc3c1ccs3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 94mg/kg (94mg/kg)   Cesko-Slovenska Farmacie. Vol. 20, Pg. 379, 1971.
mouse LD50 oral 860mg/kg (860mg/kg)   Cesko-Slovenska Farmacie. Vol. 20, Pg. 379, 1971.