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Substance Name: Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-((2-(((4-fluorophenyl)sulfonyl)amino)ethyl)thio)-
RN: 123226-52-8
InChIKey: JIHVLTONAKYFRY-UHFFFAOYSA-N

Molecular Formula

  • C23-H20-F-N-O5-S2

Molecular Weight

  • 473.543
 
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Names and Synonyms

  • Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-((2-(((4-fluorophenyl)sulfonyl)amino)ethyl)thio)-

Registry Numbers

CAS Registry Number

  • 123226-52-8

System Generated Number

  • 0123226528

Structure Descriptors

InChI

1S/C23H20FNO5S2/c24-17-6-8-18(9-7-17)32(28,29)25-11-12-31-22-19-4-2-1-3-16(19)14-30-21-10-5-15(23(26)27)13-20(21)22/h1-10,13,22,25H,11-12,14H2,(H,26,27)

InChIKey

JIHVLTONAKYFRY-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)COc3ccc(cc3C2SCCNS(=O)(=O)c4ccc(cc4)F)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,