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Substance Name: Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-(((2,6-bis(1-methylethyl)phenyl)amino)carbonyl)-, methyl ester
RN: 144170-16-1
InChIKey: CCKPSQMDQXIBOG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-N-O4

Molecular Weight

  • 457.5669
 
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Names and Synonyms

Synonym

  • 6,11-Dihydro-N-(2,6-diisopropylphenyl)-2-methoxycarbonyl-dibenz(b,e)oxepin-11-carboxamide

Systematic Name

  • Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-(((2,6-bis(1-methylethyl)phenyl)amino)carbonyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 144170-16-1

System Generated Number

  • 0144170161

Structure Descriptors

InChI

1S/C29H31NO4/c1-17(2)21-11-8-12-22(18(3)4)27(21)30-28(31)26-23-10-7-6-9-20(23)16-34-25-14-13-19(15-24(25)26)29(32)33-5/h6-15,17-18,26H,16H2,1-5H3,(H,30,31)

InChIKey

CCKPSQMDQXIBOG-UHFFFAOYSA-N

Smiles

COC(=O)c1ccc2OCc3ccccc3C(C(=O)Nc4c(cccc4C(C)C)C(C)C)c2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5340807,