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Substance Name: Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-((2-((phenylsulfonyl)amino)ethyl)amino)-
RN: 123226-93-7
InChIKey: XCERSDSRUXAURT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H22-N2-O5-S

Molecular Weight

  • 438.5018
 
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Names and Synonyms

Synonym

  • 11-((2-((Phenylsulfonyl)amino)ethyl)amino)-6,11-dihydro-dibenz(b,e)oxepin-2-carboxylic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 123226-93-7

System Generated Number

  • 0123226937

Structure Descriptors

InChI

1S/C23H22N2O5S/c26-23(27)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-30-21)24-12-13-25-31(28,29)18-7-2-1-3-8-18/h1-11,14,22,24-25H,12-13,15H2,(H,26,27)

InChIKey

XCERSDSRUXAURT-UHFFFAOYSA-N

Smiles

c1ccc(cc1)S(=O)(=O)NCCNC2c3ccccc3COc4c2cc(cc4)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,