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Substance Name: Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-
RN: 112930-58-2
InChIKey: KZYGZHLREIDBJJ-NTEUORMPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-O2-S

Molecular Weight

  • 282.3616
 
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Names and Synonyms

Synonym

  • (E)-3-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)propionic acid

Systematic Name

  • Propanoic acid, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-, (E)-

Registry Numbers

CAS Registry Number

  • 112930-58-2

System Generated Number

  • 0112930582

Structure Descriptors

InChI

1S/C17H14O2S/c18-17(19)10-9-14-13-6-2-1-5-12(13)11-20-16-8-4-3-7-15(14)16/h1-9H,10-11H2,(H,18,19)/b14-9+

InChIKey

KZYGZHLREIDBJJ-NTEUORMPSA-N

Smiles

OC(=O)C\C=C\1/c2ccccc2CSc3ccccc13

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 1566, 1987.