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Substance Name: 2,11-Dodecadione, 2,11-bis(4-phenyl-3-thiosemicarbazone)
RN: 102107-35-7
InChIKey: GNAMKLXWRKLMTK-VFIVCBTMSA-N

Molecular Formula

  • C26-H48-N6-S2

Molecular Weight

  • 496.7444
 
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Names and Synonyms

Synonym

  • 2,11-Dodecanedione-bis-N(sup 4)-cyclohexylthiosemicarbazone

Systematic Name

  • 2,11-Dodecadione, 2,11-bis(4-phenyl-3-thiosemicarbazone)

Registry Numbers

CAS Registry Number

  • 102107-35-7

System Generated Number

  • 0102107357

Structure Descriptors

InChI

1S/C26H36N6S2/c1-21(29-31-25(33)27-23-17-11-7-12-18-23)15-9-5-3-4-6-10-16-22(2)30-32-26(34)28-24-19-13-8-14-20-24/h7-8,11-14,17-20H,3-6,9-10,15-16H2,1-2H3,(H2,27,31,33)(H2,28,32,34)/b29-21+,30-22+

InChIKey

GNAMKLXWRKLMTK-VFIVCBTMSA-N

Smiles

C/C(=N\NC(=S)Nc1ccccc1)/CCCCCCCC/C(=N/NC(=S)Nc2ccccc2)/C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12499,