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Substance Name: Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy-
RN: 82407-43-0
InChIKey: QKPSDEQAFUFFKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-O3-S

Molecular Weight

  • 300.3764
 
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Names and Synonyms

Synonyms

  • 4-Methoxy-6,11-dihydrodibenzo(b,e)thiepin-11-acetic acid
  • 6,11-Dihydro-4-methoxydibenzo(b,e)thiepin-11-acetic acid
  • BRN 4523856

Systematic Name

  • Dibenzo(b,e)thiepin-11-acetic acid, 6,11-dihydro-4-methoxy-

Registry Numbers

CAS Registry Number

  • 82407-43-0

System Generated Number

  • 0082407430

Structure Descriptors

InChI

1S/C17H16O3S/c1-20-15-8-4-7-13-14(9-16(18)19)12-6-3-2-5-11(12)10-21-17(13)15/h2-8,14H,9-10H2,1H3,(H,18,19)

InChIKey

QKPSDEQAFUFFKQ-UHFFFAOYSA-N

Smiles

COc1cccc2C(CC(=O)O)c3ccccc3CSc12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 984, 1982.