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Substance Name: Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-9-bromo-11-((2-(phenylsulfonyl)amino)ethyl)thio)-
RN: 123226-48-2
InChIKey: CUEOARNCNVPJMT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H20-Br-N-O5-S2

Molecular Weight

  • 534.449
 
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Names and Synonyms

Synonym

  • 9-Bromo-11-(2-(phenylsulfonylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin-2-carboxylic acid

Systematic Name

  • Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-9-bromo-11-((2-(phenylsulfonyl)amino)ethyl)thio)-

Registry Numbers

CAS Registry Number

  • 123226-48-2

System Generated Number

  • 0123226482

Structure Descriptors

InChI

1S/C23H20BrNO5S2/c24-17-8-6-16-14-30-21-9-7-15(23(26)27)12-20(21)22(19(16)13-17)31-11-10-25-32(28,29)18-4-2-1-3-5-18/h1-9,12-13,22,25H,10-11,14H2,(H,26,27)

InChIKey

CUEOARNCNVPJMT-UHFFFAOYSA-N

Smiles

c1ccc(cc1)S(=O)(=O)NCCSC2c3cc(ccc3OCc4c2cc(cc4)Br)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,