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Substance Name: Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester
RN: 106110-68-3
InChIKey: URTJEOWMRMTMNQ-HEHNFIMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O2-S2

Molecular Weight

  • 401.592
 
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Names and Synonyms

Synonyms

  • BRN 5606965
  • Dibutylcarbamodithioic acid 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester

Systematic Name

  • Carbamodithioic acid, dibutyl-, 3-(2-furanyl)-3-oxo-1-phenyl-1-propenyl ester

Registry Numbers

CAS Registry Number

  • 106110-68-3

System Generated Number

  • 0106110683

Structure Descriptors

InChI

1S/C22H27NO2S2/c1-3-5-14-23(15-6-4-2)22(26)27-21(18-11-8-7-9-12-18)17-19(24)20-13-10-16-25-20/h7-13,16-17H,3-6,14-15H2,1-2H3/b21-17+

InChIKey

URTJEOWMRMTMNQ-HEHNFIMWSA-N

Smiles

C(\c1ccccc1)(=C/C(c1ccco1)=O)SC(N(CCCC)CCCC)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 629, 1986.