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Substance Name: Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate
RN: 31689-73-3
InChIKey: OCBVOCHRPOKVBT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-O3-S

Molecular Weight

  • 284.334
 
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Names and Synonyms

Synonyms

  • 6-Acetoxy-6,11-dihydrodibenzo(b,e)thiepin-11-one
  • 6-Hydroxydibenzo(b,e)thiepin-11(6H)-one acetate

Systematic Name

  • Dibenzo(b,e)thiepin-11(6H)-one, 6-hydroxy-, acetate

Registry Numbers

CAS Registry Number

  • 31689-73-3

System Generated Number

  • 0031689733

Structure Descriptors

InChI

1S/C16H12O3S/c1-10(17)19-16-12-7-3-2-6-11(12)15(18)13-8-4-5-9-14(13)20-16/h2-9,16H,1H3

InChIKey

OCBVOCHRPOKVBT-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3S[C@@H]1OC(C)=O)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 35, Pg. 3328, 1970.