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Substance Name: Convallatoxin
RN: 508-75-8
UNII: JY264VIR1Y
InChIKey: HULMNSIAKWANQO-JQKSAQOKSA-N

Note

  • PI: *CONVALLARIA (73-79).

Molecular Formula

  • C29-H42-O10

Molecular Weight

  • 550.6408
 

Classification Codes

  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Natural Product
  • Vasodilator Agents
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Names and Synonyms

Name of Substance

  • Convallatoxin

Synonyms

  • 3beta-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide
  • Card-20(22)-enolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-
  • Convallaotoxin
  • Convallaton
  • Convallatoxin
  • Convallatoxoside
  • Convallotoxin
  • Corglycon
  • Corglycone
  • Corglykon
  • EINECS 208-086-3
  • HSDB 3475
  • Korglykon
  • Mannopyranoside, strophanthidin-3,6-deoxy-, alpha-L-
  • NSC 407808
  • Rhamnoside, strophanthidin-3, alpha-L-
  • Strophanthidin alpha-L-rhamnoside
  • Strophanthidin, 3-(6-deoxy-alpha-L-mannopyranoside)
  • UNII-JY264VIR1Y

Systematic Names

  • Card-20(22)-enolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)- (9CI)
  • Convallatoxin

Registry Numbers

CAS Registry Number

  • 508-75-8

FDA UNII

  • JY264VIR1Y

System Generated Number

  • 0000508758

Structure Descriptors

InChI

1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1

InChIKey

HULMNSIAKWANQO-JQKSAQOKSA-N

Smiles

C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intraduodenal 2100ug/kg (2.1mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 557, 1958.
cat LD50 intraperitoneal 180ug/kg (0.18mg/kg)   Acta Biologica et Medica Germanica. Vol. 12, Pg. 434, 1964.
cat LD50 intravenous 74ug/kg (0.074mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 74, Pg. 223, 1942.
cat LD50 oral 3650ug/kg (3.65mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 557, 1958.
cat LDLo unreported 50ug/kg (0.05mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 148, Pg. 471, 1964.
frog LD50 subcutaneous 440ug/kg (0.44mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 557, 1958.
frog LDLo intravenous 300ug/kg (0.3mg/kg)   Merck Index. Vol. 10, Pg. 357, 1983.
guinea pig LD50 intraperitoneal 200ug/kg (0.2mg/kg)   Acta Biologica et Medica Germanica. Vol. 12, Pg. 434, 1964.
guinea pig LD50 intravenous 185ug/kg (0.185mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 557, 1958.
guinea pig LD50 oral > 50mg/kg (50mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 557, 1958.
guinea pig LD95 intraduodenal 10490ug/kg (10.49mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 557, 1958.
monkey LDLo intravenous 90ug/kg (0.09mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 412, 1963.
mouse LD50 intraperitoneal 10mg/kg (10mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 155, Pg. 165, 1965.
mouse LD50 intravenous 1mg/kg (1mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00462,
mouse LD50 oral > 2gm/kg (2000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 557, 1958.
mouse LD50 subcutaneous 15mg/kg (15mg/kg)   Farmakologiya i Toksikologiya Vol. 44, Pg. 342, 1981.
pig LDLo intraduodenal 3170ug/kg (3.17mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 229, 1970.
pig LDLo intravenous 50ug/kg (0.05mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 229, 1970.
pigeon LDLo intravenous 248ug/kg (0.248mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 412, 1963.
rat LD50 intravenous 15200ug/kg (15.2mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 848, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 238 deg C   EXP
log P (octanol-water) -0.48 (none)   EXP
Water Solubility 500 mg/L 25 EXP
Vapor Pressure 1.82E-22 mm Hg 25 EST
Henry's Law Constant 2.51E-21 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.72E-10 cm3/molecule-sec 25 EST

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