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Substance Name: 2,4,6-Cycloheptatrien-1-one, 3,7-bis(morpholinomethyl)-2,5-dihydroxy-
RN: 33739-52-5
InChIKey: VKFPFRRVYQUCOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-N2-O5

Molecular Weight

  • 336.386
 
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Names and Synonyms

Synonyms

  • 3,7-Bis(morpholinomethyl)-2,5-dihydroxy-2,4,6-cycloheptatrien-1-one
  • BRN 0567853

Systematic Name

  • 2,4,6-Cycloheptatrien-1-one, 3,7-bis(morpholinomethyl)-2,5-dihydroxy-

Registry Numbers

CAS Registry Number

  • 33739-52-5

System Generated Number

  • 0033739525

Structure Descriptors

InChI

1S/C17H24N2O5/c20-15-9-13(11-18-1-5-23-6-2-18)16(21)17(22)14(10-15)12-19-3-7-24-8-4-19/h9-10,20H,1-8,11-12H2,(H,21,22)

InChIKey

VKFPFRRVYQUCOX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 506mg/kg (506mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 19, 1972.