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Substance Name: 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3,5,7-tris(morpholinomethyl)-
RN: 33902-86-2
InChIKey: JTVCESNOTCQVRS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H33-N3-O5

Molecular Weight

  • 419.519
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-3,5,7-tris(morpholinomethyl)-2,4,6-cycloheptatrien-1-one
  • 3,5,7-Trimorpholinomethyltropolone
  • 4-27-00-00485 (Beilstein Handbook Reference)
  • BRN 0359778

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-3,5,7-tris(morpholinomethyl)-

Registry Numbers

CAS Registry Number

  • 33902-86-2

System Generated Number

  • 0033902862

Structure Descriptors

InChI

1S/C22H33N3O5/c26-21-19(16-24-3-9-29-10-4-24)13-18(15-23-1-7-28-8-2-23)14-20(22(21)27)17-25-5-11-30-12-6-25/h13-14H,1-12,15-17H2,(H,26,27)

InChIKey

JTVCESNOTCQVRS-UHFFFAOYSA-N

Smiles

c1(c(c(c(CN2CCOCC2)cc(c1)CN1CCOCC1)O)=O)CN1CCOCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 226mg/kg (226mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 19, 1972.
mouse LD50 subcutaneous 2gm/kg (2000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Yakugaku Zasshi. Journal of Pharmacy. Vol. 91, Pg. 550, 1971.