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Substance Name: Butyrophenone, 2',2''',4',6',6'''-pentahydroxy-4'''-methoxy-3',3'''-methylenebis(5'-methyl-
RN: 1867-82-9
InChIKey: QWRNQLIWXKNUNM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-O8

Molecular Weight

  • 446.493
 
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Names and Synonyms

Synonyms

  • 2',2''',4',6',6'''-Pentahydroxy-4'''-methoxy-3',3'''-methylenebis(5'-methylbutyrophenone)
  • BRN 2067959
  • Margaspidin
  • Margaspidin BB
  • Margaspindin

Systematic Name

  • Butyrophenone, 2',2''',4',6',6'''-pentahydroxy-4'''-methoxy-3',3'''-methylenebis(5'-methyl-

Registry Numbers

CAS Registry Number

  • 1867-82-9

System Generated Number

  • 0001867829

Structure Descriptors

InChI

1S/C24H30O8/c1-6-8-15(25)17-20(28)11(3)19(27)13(22(17)30)10-14-23(31)18(16(26)9-7-2)21(29)12(4)24(14)32-5/h27-31H,6-10H2,1-5H3

InChIKey

QWRNQLIWXKNUNM-UHFFFAOYSA-N

Smiles

c1(c(c(c(O)c(c1O)C(CCC)=O)C)OC)Cc1c(c(c(O)c(c1O)C)C(CCC)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11800ug/kg (11.8mg/kg)   Journal of Pharmaceutical Sciences. Vol. 54, Pg. 1362, 1965.
mouse LD50 oral 250mg/kg (250mg/kg)   Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 31, Pg. 247, 1972.