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Substance Name: Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-((2-(((2-thienylsulfonyl)amino)ethyl)thio)-
RN: 123226-56-2
InChIKey: FWAIMJFFTBLKLA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-N-O5-S3

Molecular Weight

  • 461.5811
 
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Names and Synonyms

Synonym

  • 11-(2-((2-Thienylsulfonyl)amino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid

Systematic Name

  • Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-((2-(((2-thienylsulfonyl)amino)ethyl)thio)-

Registry Numbers

CAS Registry Number

  • 123226-56-2

System Generated Number

  • 0123226562

Structure Descriptors

InChI

1S/C21H19NO5S3/c23-21(24)14-7-8-18-17(12-14)20(16-5-2-1-4-15(16)13-27-18)29-11-9-22-30(25,26)19-6-3-10-28-19/h1-8,10,12,20,22H,9,11,13H2,(H,23,24)

InChIKey

FWAIMJFFTBLKLA-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)COc3ccc(cc3C2SCCNS(=O)(=O)c4cccs4)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4882351,
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4882351,