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Substance Name: Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide
RN: 43040-63-7
InChIKey: XWYRSTXXNZMJDU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H14-O3-S

Molecular Weight

  • 286.35
 
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Names and Synonyms

Synonyms

  • 6,11-Dihydrodibenzo(b,e)thiepin-2-acetic acid 5-oxide
  • 6H,11H-Dibenzo(b,e)thiepin-2-ylacetic acid 5-oxide
  • BRN 1387152

Systematic Name

  • Dibenzo(b,e)thiepin-2-acetic acid, 6,11-dihydro-, 5-oxide

Registry Numbers

CAS Registry Number

  • 43040-63-7

System Generated Number

  • 0043040637

Structure Descriptors

InChI

1S/C16H14O3S/c17-16(18)8-11-5-6-15-14(7-11)9-12-3-1-2-4-13(12)10-20(15)19/h1-7H,8-10H2,(H,17,18)

InChIKey

XWYRSTXXNZMJDU-UHFFFAOYSA-N

Smiles

c12[S@@](Cc3c(Cc1cc(cc2)CC(=O)O)cccc3)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 1602, 1973.