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Substance Name: Cannogenin thevetoside
RN: 1182-87-2
UNII: CT36KGC6A6
InChIKey: PMTSPAGBAFCORP-HBUONDEYSA-N

Note

  • From Thevetia neriifolia.

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C30-H44-O9

Molecular Weight

  • 548.6686
 
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Names and Synonyms

Name of Substance

  • Cannogenin thevetoside

Synonyms

  • 3-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-card-20(22)-enolide
  • Cannogenin alpha-L-thevetoside
  • EINECS 214-659-9
  • Encordin
  • Peruvosid
  • Peruvoside
  • UNII-CT36KGC6A6

Systematic Names

  • (3beta,5beta)-3-((6-Deoxy-3-O-methyl-alpha-L -glucopyranosyl)oxy)-14-hydroxy-19-oxocard-20(22)-enolide
  • Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-, (3-beta,5-beta)-

Registry Numbers

CAS Registry Number

  • 1182-87-2

FDA UNII

  • CT36KGC6A6

Other Registry Number

  • 52443-20-6

System Generated Number

  • 0001182872

Structure Descriptors

InChI

1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30-/m0/s1

InChIKey

PMTSPAGBAFCORP-HBUONDEYSA-N

Smiles

C1[C@@]2([C@@H]3[C@@H]([C@@]4([C@]([C@@H](C=5COC(C5)=O)CC4)(C)CC3)O)CC[C@@H]2C[C@H](O[C@@H]2[C@@H]([C@H]([C@H](O)[C@@H](O2)C)OC)O)C1)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 145ug/kg (0.145mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

CARDIAC: CHANGE IN RATE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 126, Pg. 412, 1960.
guinea pig LDLo intravenous 710ug/kg (0.71mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

CARDIAC: CHANGE IN RATE

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 126, Pg. 412, 1960.
human TDLo intravenous 4285ng/kg (0.004285mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Indian Journal of Medical Research. Vol. 59, Pg. 271, 1971.
human TDLo oral 24ug/kg (0.024mg/kg) BEHAVIORAL: ANOREXIA (HUMAN

GASTROINTESTINAL: NAUSEA OR VOMITING
Indian Journal of Experimental Biology. Vol. 5, Pg. 31, 1967.
human TDLo oral 39ug/kg/3D (0.039mg/kg) CARDIAC: PULSE RATE

GASTROINTESTINAL: NAUSEA OR VOMITING
Indian Journal of Medical Research. Vol. 59, Pg. 271, 1971.
pigeon LDLo intravenous 263mg/kg (263mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

CARDIAC: CHANGE IN RATE
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 126, Pg. 412, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 162.5 deg C   EXP
log P (octanol-water) 1.05 (none)   EXP
Water Solubility 400 mg/L 25 EXP
Vapor Pressure 1.16E-20 mm Hg 25 EST
Henry's Law Constant 2.20E-20 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.86E-10 cm3/molecule-sec 25 EST

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