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Substance Name: Desaspidin [INN]
RN: 114-43-2
UNII: KV3495SGKS
InChIKey: GAHOBHHMYUYJDT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-O8

Molecular Weight

  • 446.493
 
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Names and Synonyms

Name of Substance

  • Desaspidin
  • Desaspidin BB
  • Desaspidin [INN]

Synonyms

  • 3'-((5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxybutyrophenone
  • 4-08-00-03747 (Beilstein Handbook Reference)
  • BRN 2068482
  • Desaspidin
  • Desaspidin BB
  • Desaspidina
  • Desaspidina [INN-Spanish]
  • Desaspidine
  • Desaspidine [INN-French]
  • Desaspidinum
  • Desaspidinum [INN-Latin]
  • EINECS 204-048-5
  • Rosapin
  • UNII-KV3495SGKS

Systematic Names

  • 2,5-Cyclohexadien-1-one, 2-((2,4-dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl)methyl)-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
  • 3'-((5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxybutyrophenone
  • Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxy-
  • Desaspidin

Registry Numbers

CAS Registry Number

  • 114-43-2

FDA UNII

  • KV3495SGKS

System Generated Number

  • 0000114432

Structure Descriptors

InChI

1S/C24H30O8/c1-6-8-14(25)18-16(27)11-17(32-5)12(20(18)28)10-13-21(29)19(15(26)9-7-2)23(31)24(3,4)22(13)30/h11,27-28,30-31H,6-10H2,1-5H3

InChIKey

GAHOBHHMYUYJDT-UHFFFAOYSA-N

Smiles

c1(CC=2C(C(=C(O)C(C2O)(C)C)C(CCC)=O)=O)c(cc(O)c(c1O)C(CCC)=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 340mg/kg (340mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 25, Pg. 33, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 150 deg C   EXP
log P (octanol-water) 4.630 (none)   EST
Atmospheric OH Rate Constant 2.85E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.