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Substance Name: Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-((2-((2-methoxybenzoyl)amino)ethyl)thio)-
RN: 123227-23-6
InChIKey: MQQIVJZNLKLAEC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H23-N-O5-S

Molecular Weight

  • 449.5247
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 123227-23-6

System Generated Number

  • 0123227236

Structure Descriptors

InChI

1S/C25H23NO5S/c1-30-21-9-5-4-8-19(21)24(27)26-12-13-32-23-18-7-3-2-6-17(18)15-31-22-11-10-16(25(28)29)14-20(22)23/h2-11,14,23H,12-13,15H2,1H3,(H,26,27)(H,28,29)

InChIKey

MQQIVJZNLKLAEC-UHFFFAOYSA-N

Smiles

COc1ccccc1C(=O)NCCSC2c3ccccc3COc4c2cc(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,