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Substance Name: Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide
RN: 110129-23-2
InChIKey: CPOHXQABLMIWGO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-O6-S

Molecular Weight

  • 332.3308
 
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Names and Synonyms

Synonyms

  • 6,6-Dioxido-5,7-dihydrodibenzo(c,e)thiepin-5,7-dicarboxylic acid
  • BRN 4536357

Systematic Name

  • Dibenzo(c,e)thiepin-5,7-dicarboxylic acid, 5,7-dihydro-, 6,6-dioxide

Registry Numbers

CAS Registry Number

  • 110129-23-2

System Generated Number

  • 0110129232

Structure Descriptors

InChI

1S/C16H12O6S/c17-15(18)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(16(19)20)23(13,21)22/h1-8,13-14H,(H,17,18)(H,19,20)

InChIKey

CPOHXQABLMIWGO-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)-c3ccccc3C(S(=O)(=O)C2C(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 51, Pg. 2848, 1986.